SCHEMBL8370835

SCHEMBL8370835

CC#CCCOS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA9 Q16790 2/20 0.41
STAT3 P40763 1/20 0.40
GAA P10253 1/20 0.39
ALDH1A1 P00352 5/20 0.39
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
CYP2D6 P10635 3/20 0.38
CYP1A2 P05177 2/20 0.38
G6PD P11413 1/20 0.38
VDR P11473 1/20 0.37
CA2 P00918 1/20 0.37
CA3 P07451 1/20 0.37
CA6 P23280 1/20 0.37
CA5A P35218 1/20 0.37
CA7 P43166 1/20 0.37
CA5B Q9Y2D0 1/20 0.37
TLR9 Q9NR96 1/20 0.36

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
SCHEMBL30406323 0.94 CA12 (0.41) CA12CA1CA9STAT3GAA
SCHEMBL14997971 0.91 CA1 (0.44) CA12CA1CA9STAT3GAA
SCHEMBL11138066 0.88 CA12 (0.42) CA12CA1CA9STAT3GAA
SCHEMBL14997649 0.85 CA12 (0.40) CA12CA1CA9STAT3GAA
SCHEMBL2848424 0.85 CA12 (0.40) CA12CA1CA9STAT3GAA
SCHEMBL9672034 0.84 CA12 (0.47) CA12CA1CA9STAT3GAA
SCHEMBL4801283 0.83 CYP1A2 (0.44) CA12CA1CA9STAT3GAA
SCHEMBL23038759 0.83 CA9 (0.39) CA12CA1CA9STAT3GAA
SCHEMBL3346514 0.83 CA12 (0.41) CA12CA1CA9STAT3GAA
SCHEMBL2841787 0.83 MCHR1 (0.39) CA12CA1CA9STAT3GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114805416-A Preparation method of propargyl alpha-amido borate compound 中山大学 2022-07-29 CN disclosed
EP-3194418-B1 SYNTHESIS OF ENT-PROGESTERONE AND INTERMEDIATES THEREOF PREVACUS INC (US) 2021-12-15 EP disclosed
CN-113582988-A Pyridinocyclic compound and medical application thereof 正大天晴药业集团股份有限公司 2021-11-02 CN disclosed
US-20180334436-A1 TETRAHYDROISOQUINOLINE DERIVATIVES VIIV HEALTHCARE UK LIMITED (GB) 2018-11-22 US disclosed
EP-3383866-A1 TETRAHYDROISOQUINOLINE DERIVATIVES ViiV Healthcare UK Limited (GB) 2018-10-10 EP disclosed
EP-2968576-B1 SYNTHESIS OF ENT-PROGESTERONE AND INTERMEDIATES THEREOF THE FLORIDA STATE UNIV RESEARCH FOUNDATION INCORPORATED (US) 2018-07-04 EP disclosed
EP-3194418-A1 SYNTHESIS OF ENT-PROGESTERONE AND INTERMEDIATES THEREOF Prevacus Inc. (US) 2017-07-26 EP disclosed
WO-2017093938-A1 TETRAHYDROISOQUINOLINE DERIVATIVES VIIV HEALTHCARE UK LIMITED (GB) 2017-06-08 WO disclosed
US-20160168188-A1 SYNTHESIS OF ENT-PROGESTERONE AND INTERMEDIATES THEREOF PREVACUS, INC. 2016-06-16 US disclosed
US-20160168188-A1 SYNTHESIS OF ENT-PROGESTERONE AND INTERMEDIATES THEREOF PREVACUS, INC. 2016-06-16 US disclosed
US-20140275572-A1 SYNTHESIS OF ENT-PROGESTERONE AND INTERMEDIATES THEREOF PREVACUS INC (US) 2014-09-18 US disclosed
US-20140275572-A1 SYNTHESIS OF ENT-PROGESTERONE AND INTERMEDIATES THEREOF PREVACUS INC (US) 2014-09-18 US disclosed
US-20140275572-A1 SYNTHESIS OF ENT-PROGESTERONE AND INTERMEDIATES THEREOF PREVACUS INC (US) 2014-09-18 US disclosed
US-20130144102-A1 CATALYSTS FOR THE ALKYNE METATHESIS STUDIENGESELLSCHAFT KOHLE MBH (DE) 2013-06-06 US disclosed
EP-0659735-B1 PROCESS FOR PRODUCING ANILINE DERIVATIVE SAGAMI CHEM RES (JP) 1999-01-13 EP disclosed
US-5639915-A Process for the production of aniline derivatives SAGAMI CHEMICAL RESEARCH CENTER (JP) 1997-06-17 US disclosed
EP-0659735-A1 PROCESS FOR PRODUCING ANILINE DERIVATIVE SAGAMI CHEMICAL RESEARCH CENTER (JP) 1995-06-28 EP disclosed
US-4708963-A Novel carbacyclins, their preparation and use SCHERING AKTIENGESELLSCHAFT (DE) 1987-11-24 US disclosed
US-4423067-A Carbacyclins, their preparation and use SCHERING AKTIENGESELLSCHAFT (DE) 1983-12-27 US disclosed
US-4014919-A Process for preparing methyl jasmonate and related compounds THE DOW CHEMICAL COMPANY (US) 1977-03-29 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 (4 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-20130144102-A1 CATALYSTS FOR THE ALKYNE METATHESIS MSH6, AP3M1, PMS2 CA12 553/4885CA1 3099/4885CA9 1398/4885
US-20180334436-A1 TETRAHYDROISOQUINOLINE DERIVATIVES MAVS, EIF2AK2, SARS1 CA12 3567/4885CA1 3074/4885CA9 4538/4885
US-20140275572-A1 SYNTHESIS OF ENT-PROGESTERONE AND INTERMEDIATES THEREOF CYP21A2, PGR, CYP17A1 CA12 2368/4885CA1 3445/4885CA9 3197/4885
US-20160168188-A1 SYNTHESIS OF ENT-PROGESTERONE AND INTERMEDIATES THEREOF CYP21A2, PGR, CYP17A1 CA12 2368/4885CA1 3445/4885CA9 3197/4885

“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.