SCHEMBL3620118

SCHEMBL3620118

CCCc1cc(C)ccc1OC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.54
SLC13A5 Q86YT5 1/20 0.50
GABRA1 P14867 2/20 0.49
GABRB2 P47870 2/20 0.49
ALOX5 P09917 1/20 0.49
HMGCR P04035 1/20 0.48
ALDH1A1 P00352 1/20 0.48
CYP3A4 P08684 1/20 0.48
ADRA1A P35348 1/20 0.46
TAAR1 Q96RJ0 1/20 0.46
GABRA5 P31644 1/20 0.46
GABRA3 P34903 1/20 0.46
GABRA2 P47869 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 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
SCHEMBL15186292 0.85 HTR2A (0.53) ACHESLC13A5ALOX5L3MBTL1GAA
SCHEMBL1337566 0.84 ACHE (0.54) ACHEHMGCRALDH1A1CYP3A4L3MBTL1
SCHEMBL8282401 0.83 ACHE (0.58) ACHESLC13A5ALDH1A1CYP3A4TAAR1
SCHEMBL30546634 0.82 TAAR1 (0.68) ADRA1ATAAR1
SCHEMBL12476293 0.82 SLC13A5 (0.52) ACHESLC13A5ALDH1A1CYP3A4ADRA1A
SCHEMBL8708761 0.82 TAAR1 (0.68) ADRA1ATAAR1
SCHEMBL11288361 0.81 ACHE (0.60) ACHESLC13A5ALDH1A1CYP3A4L3MBTL1
SCHEMBL24797465 0.80 HTR2A (0.47) ACHESLC13A5CYP3A4TSHR
SCHEMBL12844526 0.80 HMGCR (0.53) GABRA1GABRB2ALOX5HMGCRADRA1A
SCHEMBL5154843 0.80 ADRA1A (0.70) ADRA1ATAAR1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12029739-B2 SHP2 inhibitor and use thereof KANAPH THERAPEUTICS INC. (KR) 2024-07-09 US disclosed
US-9949966-B2 Dihydroquinolizinones for the treatment and prophylaxis of hepatitis B virus infection HOFFMAN-LA ROCHE INC. (US) 2018-04-24 US disclosed
EP-2010576-B1 BIS-ARYLARYLOXY CATALYTIC SYSTEM FOR PRODUCING ETHYLENE HOMOPOLYMERS OR ETHYLENE COPOLYMERS WITH ALPHA-OLEFINS SK INNOVATION CO LTD (KR) 2013-07-24 EP disclosed
US-7977477-B2 Benzimidazole derivatives and their use as protein kinase inhibitors ASTEX THERAPEUTICS, LIMITED (GB) 2011-07-12 US disclosed
US-7902373-B2 asthma; for treating prostaglandin D2 mediated diseases; e.g. 6-(3-fluorophenyl)-N-[1-(1-methyl-1H-tetrazol-5-yl)piperidin-4-yl]nicotinamide PFIZER INC (US) 2011-03-08 US disclosed
US-7645715-B2 Bis-arylaryloxy catalytic system for producing ethylene homopolymers or ethylene copolymers with alpha-olefins SK ENERGY CO., LTD. (KR) 2010-01-12 US disclosed
EP-2010576-A1 BIS-ARYLARYLOXY CATALYTIC SYSTEM FOR PRODUCING ETHYLENE HOMOPOLYMERS OR ETHYLENE COPOLYMERS WITH ALPHA-OLEFINS SK Energy Co., Ltd. (KR) 2009-01-07 EP disclosed
US-20080146569-A1 Nicotinamide Derivatives PFIZER INC. 2008-06-19 US disclosed
WO-2007123362-A1 BIS-ARYLARYLOXY CATALYTIC SYSTEM FOR PRODUCING ETHYLENE HOMOPOLYMERS OR ETHYLENE COPOLYMERS WITH ALPHA-OLEFINS SK ENERGY CO., LTD. (KR) 2007-11-01 WO disclosed
US-20070249490-A1 BIS-ARYLARYLOXY CATALYTIC SYSTEM FOR PRODUCING ETHYLENE HOMOPOLYMERS OR ETHYLENE COPOLYMERS WITH ALPHA-OLEFINS SK CORPORATION (KR) 2007-10-25 US disclosed
US-20070135477-A1 Benzimidazole derivatives and their use as protein kinases inhibitors ASTEX THERAPEUCTICS, LIMITED (US) 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 (3 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-20080146569-A1 Nicotinamide Derivatives NNT, NAMPT, NADK ACHE 1708/4885SLC13A5 216/4885GABRA1 2112/4885
US-20070135477-A1 Benzimidazole derivatives and their use as protein kinases inhibitors CDK1, AURKA, CDK2 ACHE 3364/4885SLC13A5 4718/4885GABRA1 2853/4885
US-12029739-B2 SHP2 inhibitor and use thereof PTPN1, PTPN5, PTPN2 ACHE 4486/4885SLC13A5 3936/4885GABRA1 3503/4885

“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.