SCHEMBL2129443

SCHEMBL2129443

COCOc1ccc(C(C)(C)C)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.53
APP P05067 1/20 0.50
KDM4E B2RXH2 1/20 0.47
RAB9A P51151 4/20 0.45
MAPT P10636 3/20 0.45
NPC1 O15118 3/20 0.45
ALDH1A1 P00352 2/20 0.45
MAPK1 P28482 2/20 0.45
HPGD P15428 1/20 0.45
LMNA P02545 3/20 0.45
HRH3 Q9Y5N1 2/20 0.45
POLB P06746 2/20 0.45
ATM Q13315 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MAOB P27338 1/20 0.45
AOC3 Q16853 1/20 0.45
NR4A2 P43354 1/20 0.45
RXRA P19793 1/20 0.45
RXRB P28702 1/20 0.45
ALOX15 P16050 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL24637492 0.89 SMN1; SMN2 (0.59) SMN1; SMN2APPKDM4ERAB9AMAPT
SCHEMBL12926334 0.87 MEN1 (0.50) SMN1; SMN2KDM4ERAB9AMAPTNPC1
SCHEMBL3589633 0.83 NQO1 (0.50) APPKDM4EMAPTMAOBRECQL
SCHEMBL15960265 0.83 EGFR (0.42) SMN1; SMN2APPKDM4ERAB9AMAPT
SCHEMBL13382511 0.83 SMN1; SMN2 (0.53) SMN1; SMN2APPKDM4ERAB9AMAPT
SCHEMBL6125304 0.82 MEN1 (0.46) SMN1; SMN2KDM4EMAPTALDH1A1MAPK1
SCHEMBL1535647 0.81 KDM4E (0.54) SMN1; SMN2APPKDM4ERAB9AMAPT
SCHEMBL4867973 0.81 MAOB (0.49) MAPTALDH1A1LMNAATML3MBTL1
SCHEMBL11110682 0.80 CYP3A4 (0.62) SMN1; SMN2MAPTALDH1A1LMNAHRH3
SCHEMBL12926333 0.80 SMN1; SMN2 (0.36) SMN1; SMN2APPKDM4EMAPTALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10821110-B2 Composite preparation, containing novel 3-(4--(benzyloxy)phenyl)hex-4-inoic acid derivative and another active ingredient, for preventing or treating metabolic diseases HYUNDAI PHARM CO., LTD. (KR) 2020-11-03 US disclosed
EP-2917181-B1 HETEROARYL DERIVATIVES AND USES THEREOF JACOBUS PHARMACEUTICAL COMPANY INC (US) 2019-09-25 EP disclosed
US-9969723-B2 3-(4-(benzyloxy)phenyl)hex-4-ynoic acid derivative, method of preparing same and pharmaceutical composition for preventing and treating metabolic disease including same as effective ingredient HYUNDAI PHARM CO., LTD (KR) 2018-05-15 US disclosed
US-20170296539-A1 COMPOSITE PREPARATION, CONTAINING NOVEL 3-(4--(BENZYLOXY)PHENYL)HEX-4-INOIC ACID DERIVATIVE AND ANOTHER ACTIVE INGREDIENT, FOR PREVENTING OR TREATING METABOLIC DISEASES HYUNDAI PHARM CO., LTD. (KR) 2017-10-19 US disclosed
US-20170296539-A1 COMPOSITE PREPARATION, CONTAINING NOVEL 3-(4--(BENZYLOXY)PHENYL)HEX-4-INOIC ACID DERIVATIVE AND ANOTHER ACTIVE INGREDIENT, FOR PREVENTING OR TREATING METABOLIC DISEASES HYUNDAI PHARM CO., LTD. (KR) 2017-10-19 US disclosed
US-9627217-B2 Silicon-containing EUV resist underlayer film-forming composition including additive NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2017-04-18 US disclosed
US-9409893-B2 Heteroaryl derivatives and uses thereof JACOBUS PHARMACEUTICAL COMPANY, INC. (US) 2016-08-09 US disclosed
US-9337052-B2 Silicon-containing EUV resist underlayer film forming composition NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-05-10 US disclosed
US-20160024063-A1 NOVEL 3-(4(BENZYLOXY)PHENYL)HEX-4-INOIC ACID DERIVATIVE, METHOD OF PREPARING SAME AND PHARMACEUTICAL COMPOSITION FOR PREVENTING AND TREATING METABOLIC DISEASE INCLUDING SAME AS EFFECTIVE INGREDIENT HYUNDAI PHARM CO., LTD (KR) 2016-01-28 US disclosed
US-9196484-B2 Silicon-containing composition for formation of resist underlayer film, which contains organic group containing protected aliphatic alcohol NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2015-11-24 US disclosed
US-7915455-B2 Transition metal complex ligand and olefin polymerization catalyst containing transition metal complex SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-03-29 US disclosed
US-7915455-B2 Transition metal complex ligand and olefin polymerization catalyst containing transition metal complex SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-03-29 US disclosed
US-20110021513-A1 MODULATORS OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASE BIOGEN IDEC MA INC. (US) 2011-01-27 US disclosed
EP-2272852-A1 Transition metal complex ligand and olefin polymerization catalyst containing transition metal complex Sumitomo Chemical Company, Limited (JP) 2011-01-12 EP disclosed
US-20090143620-A1 Transition metal complex ligand and olefin polymerization catalyst containing transition metal complex SUMITOMO CHEMICAL COMPANY, LIMITED 2009-06-04 US disclosed
US-7482414-B2 Transition metal complex ligand and olefin polymerization catalyst containing transition metal complex SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-01-27 US disclosed
US-7482414-B2 Transition metal complex ligand and olefin polymerization catalyst containing transition metal complex SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-01-27 US disclosed
US-7419967-B2 Sulfonamide inhibitors of aspartyl protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-09-02 US disclosed
US-20070135600-A1 Transition metal complex ligand and olefin polymerization catalyst containing transition metal complex SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-06-14 US disclosed
US-20070135600-A1 Transition metal complex ligand and olefin polymerization catalyst containing transition metal complex SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-06-14 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070135600-A1 Transition metal complex ligand and olefin polymerization catalyst containing transition metal complex AP1M1, OR10J3, AP2M1 SMN1; SMN2 2171/4885APP 2224/4885KDM4E 4395/4885
US-20110021513-A1 MODULATORS OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASE IRAK1, IRAK2, IRAK3 SMN1; SMN2 2357/4885APP 2578/4885KDM4E 2425/4885
US-20090143620-A1 Transition metal complex ligand and olefin polymerization catalyst containing transition metal complex AP1M1, OR10J3, AP2M1 SMN1; SMN2 2171/4885APP 2224/4885KDM4E 4395/4885
US-20160024063-A1 NOVEL 3-(4(BENZYLOXY)PHENYL)HEX-4-INOIC ACID DERIVATIVE, METHOD OF PREPARING SAME AND PHARMACEUTICAL COMPOSITION FOR PREVENTING AND TREATING METABOLIC DISEASE INCLUDING SAME AS EFFECTIVE INGREDIENT GPR119, INSR, IRS1 SMN1; SMN2 2293/4885APP 3124/4885KDM4E 1919/4885
US-20170296539-A1 COMPOSITE PREPARATION, CONTAINING NOVEL 3-(4--(BENZYLOXY)PHENYL)HEX-4-INOIC ACID DERIVATIVE AND ANOTHER ACTIVE INGREDIENT, FOR PREVENTING OR TREATING METABOLIC DISEASES SLC5A2, SLC5A1, DPP4 SMN1; SMN2 2750/4885APP 4290/4885KDM4E 602/4885
US-10821110-B2 Composite preparation, containing novel 3-(4--(benzyloxy)phenyl)hex-4-inoic acid derivative and another active ingredient, for preventing or treating metabolic diseases SLC5A2, SLC5A1, DPP4 SMN1; SMN2 2750/4885APP 4290/4885KDM4E 602/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.