SCHEMBL816712

SCHEMBL816712

C[C](C)c1cccc(C)c1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 3/20 0.50
▸ ATM Q13315 1/20 0.50
▸ ESR1 P03372 1/20 0.44
▸ ESR2 Q92731 1/20 0.44
▸ ALDH1A1 P00352 4/20 0.43
▸ HSD17B10 Q99714 3/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ HPGD P15428 2/20 0.41
▸ CYP1A2 P05177 2/20 0.41
▸ LMNA P02545 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ AKR1B10 O60218 1/20 0.41
▸ ABCB11 O95342 1/20 0.41
▸ DHFR P00374 1/20 0.41
▸ MPO P05164 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CHRM1 P11229 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ AKR1B1 P15121 1/20 0.41
▸ PTGS1 P23219 1/20 0.41

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
SCHEMBL16950882 0.82 TRPA1 (0.48) TRPA1ATMESR1ESR2ALDH1A1
SCHEMBL6515010 0.81 TRPA1 (0.52) TRPA1ATMESR1ESR2ALDH1A1
SCHEMBL29407046 0.80 TRPA1 (0.46) TRPA1ATMESR1ESR2ALDH1A1
SCHEMBL697259 0.80 ESR1 (0.50) TRPA1ATMESR1ESR2ALDH1A1
SCHEMBL715998 0.80 TRPA1 (0.46) TRPA1ATMESR1ESR2ALDH1A1
SCHEMBL31519420 0.80 ESR1 (0.50) TRPA1ATMESR1ESR2ALDH1A1
SCHEMBL81004 0.80 TRPA1 (0.46) TRPA1ATMESR1ESR2ALDH1A1
SCHEMBL19158691 0.80 TRPA1 (0.46) TRPA1ATMESR1ESR2ALDH1A1
SCHEMBL23969500 0.78 TRPA1 (0.44) TRPA1ATMESR1ESR2ALDH1A1
SCHEMBL16952249 0.78 TRPA1 (0.44) TRPA1ATMESR1ESR2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008029278-A2 CONJUGATES OF ANTITHROMBIN BINDING OLIGOSACCHARIDE DERIVATIVES AND THERAPEUTIC PROTEINS ENDOTIS PHARMA S.A. (FR) 2008-03-13 — — WO claimed
EP-1886696-A1 Conjugates of antithrombin binding oligosaccharide derivatives and therapeutic proteins Endotis Pharma (FR) 2008-02-13 — — EP claimed
WO-2007135417-A1 BENZOTRIAZEPINONE DERIVATIVES JAMES BLACK FOUNDATION (GB) 2007-11-29 — — WO claimed
WO-2007135350-A1 BENZOTRIAZEPINONE DERIVATIVES JAMES BLACK FOUNDATION (GB) 2007-11-29 — — WO claimed
US-7247687-B2 Late transition metal catalysts for olefin polymerization and oligomerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-07-24 — — US claimed
WO-2006129120-A9 BENZOTRIAZEPINONE DERIVATIVES JAMES BLACK FOUNDATION (GB) 2007-03-22 — — WO claimed
WO-2006129120-A2 BENZOTRIAZEPINONE DERIVATIVES JAMES BLACK FOUNDATION (GB) 2006-12-07 — — WO claimed
EP-1521758-B1 LATE TRANSITION METAL CATALYSTS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION EXXONMOBIL CHEM PATENTS INC (US) 2006-05-24 — — EP claimed
US-20060047094-A1 Late transition metal catalysts for olefin polymerization and oligomerization EXXONMOBIL CHEMICAL PATENTS INC. 2006-03-02 — — US claimed
EP-1521758-A1 LATE TRANSITION METAL CATALYSTS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION Exxonmobil Chemical Patents Inc. (US) 2005-04-13 — — EP claimed
WO-2004007509-A1 LATE TRANSITION METAL CATALYSTS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION EXXONMOBIL CHEMICAL PATENTS INC. (US) 2004-01-22 — — WO claimed
WO-1994022911-A2 A PROCESS AND INTERMEDIATE COMPOUNDS USEFUL FOR THE PREPARATION OF PLATELET GLYCOPROTEIN IIb/IIIa INHIBITORS CONTAINING Nα-METHYLARGININE THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1994-10-13 — — WO claimed
US-11931415-B2 Ophthalmic compositions THE UNIVERSITY OF LIVERPOOL (GB) 2024-03-19 — — US disclosed
CN-117388491-A SVA neutralizing antibody liquid phase blocking ELISA detection kit 中国农业科学院兰州兽医研究所 2024-01-12 — — CN disclosed
EP-3496760-B1 OPHTHALMIC COMPOSITIONS UNIV LIVERPOOL (GB) 2022-02-09 — — EP disclosed
US-20210220335-A1 NITROIMIDAZOLE FORMULATIONS IRP Health Pty Ltd (AU) 2021-07-22 — — US disclosed
WO-1994022911-A2 A PROCESS AND INTERMEDIATE COMPOUNDS USEFUL FOR THE PREPARATION OF PLATELET GLYCOPROTEIN IIb/IIIa INHIBITORS CONTAINING Nα-METHYLARGININE THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1994-10-13 — — WO disclosed
US-5179066-A THERMOSENSITIVE RECORDING MATERIAL YAMADA CHEMICAL CO., LTD. (JP) 1993-01-12 — — US disclosed
US-4737297-A MONO-SUBSTITUTED NAPHTHALENES NIPPON OIL CO., LTD. (JP) 1988-04-12 — — US disclosed
US-4665275-A OXIDATION-RESISTANT NAPHTHALENE DERIVATIVE NIPPON OIL CO., LTD. (JP) 1987-05-12 — — 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-20210220335-A1 NITROIMIDAZOLE FORMULATIONS PHB1, COX5B, CYP3A5 TRPA1 3573/4885ATM 3764/4885ESR1 4380/4885
US-20060047094-A1 Late transition metal catalysts for olefin polymerization and oligomerization MLX, LOX, LMTK3 TRPA1 1912/4885ATM 3933/4885ESR1 1108/4885
US-11931415-B2 Ophthalmic compositions CRYAB, CRYAA, PDE6D TRPA1 424/4885ATM 758/4885ESR1 2411/4885

“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.

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