SCHEMBL171836

SCHEMBL171836

COc1cc(C)ccc1OC(C)=O

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.64
ACHE P22303 1/20 0.63
NR3C1 P04150 1/20 0.58
JUN P05412 1/20 0.57
NFKB1 P19838 1/20 0.57
TNFSF11 O14788 1/20 0.56
PTGS1 P23219 1/20 0.55
ALDH1A1 P00352 3/20 0.55
VCP P55072 1/20 0.51
SMN1; SMN2 Q16637 4/20 0.50
RAB9A P51151 3/20 0.50
PKM P14618 2/20 0.50
NPC1 O15118 2/20 0.50
KDM4E B2RXH2 1/20 0.50
GAA P10253 1/20 0.50
LMNA P02545 1/20 0.50
MAPT P10636 1/20 0.50
HTT P42858 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50

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
SCHEMBL8350024 0.90 TSHR (0.60) TSHRACHENR3C1JUNNFKB1
SCHEMBL28879153 0.86 ACHE (0.65) TSHRACHEALDH1A1SMN1; SMN2RAB9A
SCHEMBL28879154 0.85 ACHE (0.63) TSHRACHEALDH1A1SMN1; SMN2RAB9A
SCHEMBL30468737 0.84 ACHE (0.57) TSHRACHENR3C1JUNNFKB1
SCHEMBL30474574 0.83 ACHE (0.61) TSHRACHEALDH1A1SMN1; SMN2RAB9A
SCHEMBL2565359 0.83 ACHE (0.61) TSHRACHEALDH1A1SMN1; SMN2RAB9A
SCHEMBL10960395 0.83 ACHE (0.61) TSHRACHEALDH1A1SMN1; SMN2RAB9A
SCHEMBL10425842 0.82 TSHR (0.66) TSHRNR3C1JUNNFKB1TNFSF11
SCHEMBL17703857 0.81 MAPT (0.65) TSHRACHEALDH1A1KDM4EMAPT
SCHEMBL2729632 0.81 TSHR (0.64) TSHRNR3C1JUNNFKB1TNFSF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119490612-A Solid catalyst component for olefin polymerization, catalyst and application thereof 中国石油化工股份有限公司 2025-02-21 CN claimed
CN-119490410-A Ether ester compound, preparation method thereof and application thereof in olefin polymerization 中国石油化工股份有限公司 2025-02-21 CN claimed
EP-1058919-A1 IDENTIFIABLE MARKING COMPOSITIONS AND METHODS Tracking Technologies, Inc. (US) 2000-12-13 EP claimed
WO-1999045514-A1 IDENTIFIABLE MARKING COMPOSITIONS AND METHODS TRACKING TECHNOLOGIES, INC. (US) 1999-09-10 WO claimed
CN-119490612-A Solid catalyst component for olefin polymerization, catalyst and application thereof 中国石油化工股份有限公司 2025-02-21 CN disclosed
CN-119490410-A Ether ester compound, preparation method thereof and application thereof in olefin polymerization 中国石油化工股份有限公司 2025-02-21 CN disclosed
US-20230322647-A1 PCNHCP METAL COMPLEXES AND USES THEREOF TECHNION RESEARCH & DEVELOPMENT FOUNDATION LTD. (IL) 2023-10-12 US disclosed
US-20230244143-A9 RADIATION-SENSITIVE RESIN COMPOSITION, METHOD OF FORMING RESIST PATTERN, AND COMPOUND JSR CORPORATION (JP) 2023-08-03 US disclosed
CN-110891615-B System and method for selecting and releasing fragrance 阿甘香气及精细化学有限公司 2022-08-05 CN disclosed
EP-3527562-B1 MICROTUBULE PROTEIN INHIBITOR SHENZHEN NEPTUNUS PHARMACEUTICAL RES INSTITUTE CO LTD (CN) 2022-04-06 EP disclosed
WO-2021094268-A1 GINGEROL COMPOUNDS AND THEIR USE AS FLAVOR MODIFIERS FIRMENICH SA (CH) 2021-05-20 WO disclosed
US-10724072-B2 Use of phospho-Akt as a biomarker of drug response BASILEA PHARMACEUTICA AG (CH) 2020-07-28 US disclosed
US-7310902-B2 Personal safety device WILLIAMS JANET ELIZABETH 2007-12-25 US disclosed
WO-2007104783-A2 1,4 -DI SUBSTITUTED 3-CYANO-PYRIDONE DERIVATIVES AND THEIR USE AS POSITIVE MGLUR2-RECEPT0R MODULATORS ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC. (US) 2007-09-20 WO disclosed
US-20070043061-A1 Furazanobenzimidazoles BASILEA PHARMACEUTICA AG 2007-02-22 US disclosed
US-20070043061-A1 Furazanobenzimidazoles BASILEA PHARMACEUTICA AG 2007-02-22 US disclosed
US-20060117981-A1 Personal safety device WILLIAMS JANET E 2006-06-08 US disclosed
CN-1771521-A Personal safety device WILLIAMS JANET E (GB) 2006-05-10 CN disclosed
EP-1606779-A1 PERSONAL SAFETY DEVICE Williams, Janet Elisabeth (GB) 2005-12-21 EP disclosed
WO-2004086323-A1 PERSONAL SAFETY DEVICE WILLIAMS JANET ELIZABETH (GB) 2004-10-07 WO 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-10724072-B2 Use of phospho-Akt as a biomarker of drug response AKT3, AKT1S1, AKT2 TSHR 818/4885ACHE 4815/4885NR3C1 181/4885
US-20230322647-A1 PCNHCP METAL COMPLEXES AND USES THEREOF PIN4, HIRIP3, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 TSHR 4417/4885ACHE 3352/4885NR3C1 585/4885
US-20070043061-A1 Furazanobenzimidazoles FOXO1, CYP2F1, OXER1 TSHR 1025/4885ACHE 2937/4885NR3C1 718/4885

“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.