SCHEMBL2012718

SCHEMBL2012718

C=C(c1ccc(Cl)cc1)C(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.42
CES1 P23141 2/20 0.42
ALDH1A1 P00352 3/20 0.41
TSHR P16473 2/20 0.41
ALOX15 P16050 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPK1 P28482 1/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 3/20 0.41
MAOA P21397 2/20 0.41
MAOB P27338 2/20 0.41
POLB P06746 2/20 0.41
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
ADRB2 P07550 1/20 0.39
MAPT P10636 1/20 0.39
CYP2A6 P11509 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL8461563 0.87 MAPT (0.35) ATMLMNACA1CA2MAPT
SCHEMBL9524578 0.84 CES2 (0.41) CES2CES1ALDH1A1TSHRALOX15
SCHEMBL9522141 0.84 CES2 (0.41) CES2CES1ALDH1A1TSHRALOX15
SCHEMBL23181422 0.82 CES2 (0.39) CES2CES1ALDH1A1TSHRALOX15
SCHEMBL10365514 0.82 CES2 (0.39) CES2CES1ALDH1A1TSHRALOX15
SCHEMBL9626474 0.78 MAPT (0.52) ALDH1A1TSHRALOX15CYP3A4MAPK1
SCHEMBL12981369 0.78 ALDH1A1 (0.44) CES2CES1ALDH1A1CYP3A4ATM
SCHEMBL2017897 0.76 CES2 (0.42) CES2CES1ALDH1A1MAOAMAOB
SCHEMBL30510719 0.76 CES2 (0.42) CES2CES1ALDH1A1TSHRALOX15
SCHEMBL1965137 0.76 TPMT (0.41) CA1CA2

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-20180133212-A1 COMBINATION OF A BCL-2 INHIBITOR AND A BROMODOMAIN INHIBITOR FOR TREATING CANCER GILEAD SCIENCES, INC. 2018-05-17 US disclosed
CN-102652159-B Stain-resistant aqueous coating composition AKZO NOBEL COATINGS INT BV 2014-08-13 CN disclosed
EP-2513237-B1 STAIN-BLOCKING AQUEOUS COATING COMPOSITION AKZO NOBEL COATINGS INT BV (NL) 2014-06-18 EP disclosed
US-8709609-B2 Stain-blocking aqueous coating composition AKZO NOVEL COATINGS INTERNATIONAL B.V. (NL) 2014-04-29 US disclosed
EP-2513237-A1 STAIN-BLOCKING AQUEOUS COATING COMPOSITION Akzo Nobel Coatings International B.V. (NL) 2012-10-24 EP disclosed
US-20120244368-A1 STAIN-BLOCKING AQUEOUS COATING COMPOSITION AKZO NOBEL COATING INTERNATIONAL B.V. (NL) 2012-09-27 US disclosed
CN-102652159-A Stain-resistant aqueous coating composition AKZO NOBEL COATINGS INT BV 2012-08-29 CN disclosed
WO-2011073164-A1 STAIN-BLOCKING AQUEOUS COATING COMPOSITION AKZO NOBEL COATINGS INTERNATIONAL B.V. (NL) 2011-06-23 WO disclosed
EP-0197274-B1 PROCESS FOR THE PREPARATION OF SUBSTITUTED STYRENES BAYER AG (DE) 1989-01-04 EP disclosed
US-4650910-A CLEAVAGE OF N-ACYL-B-PHENETHYLAMINES WITH BASE BAYER AKTIENGESELLSCHAFT (DE) 1987-03-17 US disclosed
EP-0197274-A1 Process for the preparation of substituted styrenes BAYER AG (DE) 1986-10-15 EP 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 (1 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-20180133212-A1 COMBINATION OF A BCL-2 INHIBITOR AND A BROMODOMAIN INHIBITOR FOR TREATING CANCER BCL2, BAK1, BRD4 CES2 3633/4885CES1 3696/4885ALDH1A1 4196/4885

“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.