SCHEMBL2632778

SCHEMBL2632778

CC(C)C(=O)c1ccccc1Cl

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.58
CES1 P23141 1/20 0.58
ALDH1A1 P00352 4/20 0.56
POLB P06746 3/20 0.52
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
HPGD P15428 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C19 P33261 1/20 0.46
RECQL P46063 1/20 0.45
KMT2A Q03164 1/20 0.44
MAPT P10636 1/20 0.44
ERCC5 P28715 1/20 0.44
FEN1 P39748 1/20 0.44
GPR139 Q6DWJ6 1/20 0.44
TP53 P04637 2/20 0.43
PLAU P00749 1/20 0.43
ELANE P08246 1/20 0.43

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
SCHEMBL16160309 0.84 CES2 (0.50) CES2CES1ALDH1A1POLBNPC1
SCHEMBL10308375 0.84 PDK2 (0.46) ALDH1A1RECQLKMT2AMAPTTP53
SCHEMBL8171481 0.83 TSHR (0.59) CES2CES1ALDH1A1CYP1A2CYP2C19
SCHEMBL5747509 0.83 CES2 (0.54) CES2CES1ALDH1A1POLBNPC1
SCHEMBL30529376 0.83 CES2 (0.54) CES2CES1ALDH1A1POLBNPC1
SCHEMBL24451119 0.82 TAS1R3 (0.46) CES2CES1ALDH1A1POLBKMT2A
SCHEMBL30689747 0.82 TAS1R3 (0.46) CES2CES1ALDH1A1POLBKMT2A
SCHEMBL9370899 0.82 CES2 (0.52) CES2CES1ALDH1A1POLBNPC1
SCHEMBL11864535 0.82 ALDH1A1 (0.55) CES2CES1ALDH1A1POLBNPC1
SCHEMBL30606489 0.80 KAT6A (0.43) CES2CES1ALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6737486-B2 USING ORGANIC HALIDE OR SULFUR INITIATOR; MAINTAINING PROCESS CONTROL AND UNIFORMITY EASTMAN KODAK COMPANY 2004-05-18 US claimed
US-20040014910-A1 Novel polymerization process EASTMAN KODAK COMPANY 2004-01-22 US claimed
US-6310165-B1 VINYL MONOMER WITH ONIUM SALT TRANSITION METAL CAYALYST EASTMAN KODAK COMPANY 2001-10-30 US claimed
US-6306995-B1 CATALYTIC POLYMERIZATION WITH ONIUM CATALYSTS EASTMAN KODAK COMPANY 2001-10-23 US claimed
US-10189836-B2 Therapeutic compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2019-01-29 US disclosed
EP-2766352-B1 INDAZOLE COMPOUNDS AS KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIV HEALTH NETWORK UHN (CA) 2018-06-06 EP disclosed
EP-2766352-B1 INDAZOLE COMPOUNDS AS KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIV HEALTH NETWORK UHN (CA) 2018-06-06 EP disclosed
CN-106349285-B Hydroxyl acylphosphine oxide and its preparation and application 天津久日新材料股份有限公司 2018-05-15 CN disclosed
US-20170144984-A1 MODULATORS OF THE RELAXIN RECEPTOR 1 THE UNITED STATES OF AMERICA AS REPRESENTED BY SECRETARY DEPT OF HEALTH AND HUMAN SERVICE (US) 2017-05-25 US disclosed
US-20170144984-A1 MODULATORS OF THE RELAXIN RECEPTOR 1 THE UNITED STATES OF AMERICA AS REPRESENTED BY SECRETARY DEPT OF HEALTH AND HUMAN SERVICE (US) 2017-05-25 US disclosed
US-9580390-B2 Indazole compounds as kinase inhibitors and method of treating cancer with same UNIVERSITY HEALTH NETWORK (CA) 2017-02-28 US disclosed
US-9580390-B2 Indazole compounds as kinase inhibitors and method of treating cancer with same UNIVERSITY HEALTH NETWORK (CA) 2017-02-28 US disclosed
US-6229022-B1 REACTING CARBONYL COMPOUNDS WITH HYDRAZINE, ITS HYDRATE OR SALTS IN THE PRESENCE OF SULFURIC ACID AND IODINE OR AN IODINE LIBERATING COMPOUND BASF AKTIENGESELLSCHAFT (DE) 2001-05-08 US disclosed
WO-2000075094-A2 METHOD FOR PRODUCING A HALOGENATED ACETOPHENONE ISHIHARA SANGYO KAISHA, LTD. (JP) 2000-12-14 WO disclosed
EP-1021416-A1 METHOD FOR PRODUCING SUBSTITUTED PYRAZOLES BASF AKTIENGESELLSCHAFT (DE) 2000-07-26 EP disclosed
US-6093851-A N-(α-alkylbenzylidene)-α-phenylalkylamine, its use and process for producing the same and process for producing intermediate therefor SUMITOMO CHEMICAL COMPANY, LTD. (JP) 2000-07-25 US disclosed
EP-0735018-B1 N-(alpha-alkylbenzylidene)-alpha-phenylalkylamine, its use and process for producing the same and process for producing intermediate therefor SUMITOMO CHEMICAL CO (JP) 1999-07-21 EP disclosed
WO-1998058914-A1 METHOD FOR PRODUCING SUBSTITUTED PYRAZOLES BASF AKTIENGESELLSCHAFT (DE) 1998-12-30 WO disclosed
US-5739401-A N-(α-alkylbenzylidene)-α-phenylalkylamine, its use and process for producing the same and process for producing intermediate therefor SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-04-14 US disclosed
EP-0735018-A1 N-(alpha-alkylbenzylidene)-alpha-phenylalkylamine, its use and process for producing the same and process for producing intermediate therefor SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1996-10-02 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 (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-10189836-B2 Therapeutic compounds, compositions and methods of use thereof JAK2, JAK1, JAK3 CES2 923/4885CES1 1353/4885ALDH1A1 1702/4885
US-20170144984-A1 MODULATORS OF THE RELAXIN RECEPTOR 1 RXFP1, RXFP2, RXFP3 CES2 4439/4885CES1 722/4885ALDH1A1 2561/4885

“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.