SCHEMBL3390853

SCHEMBL3390853

C=COc1c(Cl)cc(Cl)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
ALDH1A1 P00352 6/20 0.39
TSHR P16473 5/20 0.36
HSD17B10 Q99714 3/20 0.36
CYP3A4 P08684 1/20 0.36
RECQL P46063 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.34
MAPT P10636 1/20 0.34
PPARG P37231 1/20 0.33
HPGD P15428 2/20 0.32
AHR P35869 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ERN1 O75460 1/20 0.31
TP53 P04637 1/20 0.31

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
SCHEMBL95387 0.75 CA1 (0.45) CA1CA2CA9ALDH1A1TSHR
SCHEMBL1764467 0.75 CA1 (0.40) CA1CA2CA9ALDH1A1TSHR
Butadiene SCHEMBL3372131 0.71 ALDH1A1 (0.44) CA1CA2CA9ALDH1A1TSHR
SCHEMBL1044921 0.70 ALDH1A1 (0.45) CA1CA2CA9ALDH1A1TSHR
SCHEMBL23387017 0.70 MAPT (0.43) ALDH1A1HSD17B10CYP3A4MAPTHPGD
SCHEMBL3886565 0.70 MAPT (0.44) CA1CA2CA9ALDH1A1TSHR
SCHEMBL1436760 0.70 TTR (0.47) TSHRL3MBTL1MAPTHPGDTP53
SCHEMBL10507012 0.70 CA1 (0.36) CA1CA2CA9ALDH1A1TSHR
SCHEMBL11541914 0.70 HSD17B10 (0.46) CA1CA2CA9ALDH1A1TSHR
SCHEMBL11783352 0.70 CA1 (0.41) CA1CA2CA9ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8822592-B2 Aqueous emulsion polymer as dispersant BASF SE (DE) 2014-09-02 US disclosed
EP-1394153-B1 THIOL COMPOUND DERIVATIVES, HARDENING COMPOSITIONS CONTAINING THESE DERIVATIVES AND MOLDED ARTICLES THEREOF UNIMATEC CO LTD (JP) 2010-12-29 EP disclosed
US-7812157-B2 Thiol compound derivative, curable composition containing the derivative, and molded product thereof UNIMATEC CO., LTD. (JP) 2010-10-12 US disclosed
US-20090234062-A1 Aqueous emulsion polymer as dispersant CIBA SPECIALTY CHEMICALS CORP. 2009-09-17 US disclosed
EP-1444302-B1 LEVELLING AGENT AND ANTI-CRATERING AGENT CIBA HOLDING INC (CH) 2009-06-17 EP disclosed
US-20080227977-A1 Thiol compound derivative, curable composition containing the derivative, and molded product thereof UNIMATEC CO., LTD. 2008-09-18 US disclosed
US-7384995-B2 Thiol compound derivative, curable composition containing the derivative, and molded product thereof UNIMATEC CO., LTD. (JP) 2008-06-10 US disclosed
CN-100364649-C Aqueous emulsion polymer as dispersant EFKA ADDITIVES B V (NL) 2008-01-30 CN disclosed
US-20070155868-A1 Thiol compound derivative, curable composition containing the derivative, and molded product thereof UNIMATEC CO., LTD. 2007-07-05 US disclosed
US-7199169-B2 Thiol compound derivative, hardening compositions containing these derivatives and molded articles thereof UNIMATEC CO., LTD. (JP) 2007-04-03 US disclosed
CN-1713955-A Aqueous emulsion polymers as dispersants EFKA ADDITIVES B V (NL) 2005-12-28 CN disclosed
EP-1562696-A2 AQUEOUS EMULSION POLYMER AS DISPERSANT Efka Additives B.V. (NL) 2005-08-17 EP disclosed
US-20040236007-A1 Levelling agent and anti-cratering agent CIBA SPECIALTY CHEMICALS CORPORATION 2004-11-25 US disclosed
US-20040162368-A1 Thiol compound derivative, hardening compositions containing these derivatives and molded articles thereof UNIMATEC CO., LTD. (JP) 2004-08-19 US disclosed
EP-1444302-A1 LEVELLING AGENT AND ANTI-CRATERING AGENT Efka Additives B.V. (NL) 2004-08-11 EP disclosed
WO-2004045755-A2 AQUEOUS EMULSION POLYMER AS DISPERSANT EFKA ADDITIVES B.V. (NL) 2004-06-03 WO disclosed
EP-1394153-A1 THIOL COMPOUND DERIVATIVES, HARDENING COMPOSITIONS CONTAINING THESE DERIVATIVES AND MOLDED ARTICLES THEREOF Unimatec Co., Ltd. (JP) 2004-03-03 EP disclosed
WO-2003033603-A1 LEVELLING AGENT AND ANTI-CRATERING AGENT EFKA ADDITIVES B.V. (NL) 2003-04-24 WO disclosed
WO-1993016033-A1 CYCLOHEXENONE OXIME ETHERS, METHODS OF PREPARING THEM AND THEIR USE AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1993-08-19 WO disclosed
US-4075237-A Perfluorinated esters of fumaric acid and certain other ethylenically unsaturated poly-basic acid and soil repellant polymers thereof GEIGY CHEMICAL CORPORATION (US) 1978-02-21 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 (2 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-20080227977-A1 Thiol compound derivative, curable composition containing the derivative, and molded product thereof TST, CTH, NACA CA1 1279/4885CA2 3511/4885CA9 1413/4885
US-20040162368-A1 Thiol compound derivative, hardening compositions containing these derivatives and molded articles thereof TST, NACA, CTH CA1 2153/4885CA2 3843/4885CA9 2756/4885

“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.