SCHEMBL4076131

SCHEMBL4076131

C=CCC(Br)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42
HTR2A P28223 2/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
TRPA1 O75762 1/20 0.37
TAAR1 Q96RJ0 2/20 0.36
CYP3A4 P08684 1/20 0.35
TSHR P16473 2/20 0.34

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
SCHEMBL8499614 0.82 CYP2C19 (0.57) CYP2C19SMN1; SMN2ALDH1A1KDM4EMAPT
SCHEMBL12828550 0.78 CYP2C19 (0.48) CYP2C19SMN1; SMN2ALDH1A1KDM4EMAPT
SCHEMBL691762 0.78 CYP2C19 (0.57) CYP2C19SMN1; SMN2ALDH1A1KDM4EMAPT
SCHEMBL17763415 0.77 CES2 (0.41) CYP2C19KDM4EHTR2AL3MBTL1CES2
Ammonia Solution, Strong SCHEMBL11201030 0.76 CYP2C19 (0.55) CYP2C19SMN1; SMN2ALDH1A1KDM4EMAPT
SCHEMBL7674344 0.76 CYP2C19 (0.55) CYP2C19SMN1; SMN2ALDH1A1KDM4EMAPT
SCHEMBL9003499 0.76 CYP2C19 (0.55) CYP2C19SMN1; SMN2ALDH1A1KDM4EMAPT
SCHEMBL3996056 0.76 CYP2C19 (0.55) CYP2C19SMN1; SMN2ALDH1A1KDM4EMAPT
SCHEMBL4892666 0.75 CES2 (0.42) ALOX15HTR2ACES2CES1TRPA1
SCHEMBL9293127 0.75 CYP2C19 (0.46) CYP2C19SMN1; SMN2ALDH1A1KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102974268-B alkyl benzyl polyoxyethylene ether betaine surfactant and preparation method and application thereof CHINESE ACAD TECH INST PHYSICS 2014-06-25 CN claimed
CN-102974268-A Alkyl benzyl polyoxyethylene ether betaine surfactant and preparation method and application thereof CHINESE ACAD TECH INST PHYSICS 2013-03-20 CN claimed
CN-102344345-A Preparation method of arylene ether compound UNIV NANJING NORMAL 2012-02-08 CN claimed
EP-1169364-B1 NOVEL ABA TRIBLOCK AND DIBLOCK COPOLYMERS AND METHODS OF PREPARING THE SAME CALIFORNIA INST OF TECHN (US) 2009-07-29 EP claimed
EP-1169364-A4 NOVEL ABA TRIBLOCK AND DIBLOCK COPOLYMERS AND METHODS OF PREPARING THE SAME CALIFORNIA INST OF TECHN (US) 2003-07-23 EP claimed
US-20030013825-A1 Novel ABA triblock and diblock copolymers and methods of preparing the same CALIFORNIA INSTITUTE OF TECHNOLOGY 2003-01-16 US claimed
US-6410666-B1 CONTACTING A CYCLOALKENE WITH CHAIN TRANSFER AGENT IN PRESENCE OF METATHESIS CATALYST FORMING TELECHELIC POLYMER; REACTING WITH ALKENE CALIFORNIA INSTITUTE OF TECHNOLOGY 2002-06-25 US claimed
EP-1169364-A1 NOVEL ABA TRIBLOCK AND DIBLOCK COPOLYMERS AND METHODS OF PREPARING THE SAME CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2002-01-09 EP claimed
WO-2000055218-A1 NOVEL ABA TRIBLOCK AND DIBLOCK COPOLYMERS AND METHODS OF PREPARING THE SAME CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2000-09-21 WO claimed
US-4423198-A WITH POLYMERIZABLE TERTIARY AMINE AND CROSSLINKER COPOLYMER RUBBER & CHEMICAL CORPORATION (US) 1983-12-27 US claimed
CN-114573717-A Preparation method of high-temperature water-retention modified cellulose ether 南京钧正新材料有限公司 2022-06-03 CN disclosed
CN-114573717-A Preparation method of high-temperature water-retention modified cellulose ether 南京钧正新材料有限公司 2022-06-03 CN disclosed
US-10273238-B2 Indazolones as modulators of TNF signaling ABBVIE INC. (US) 2019-04-30 US disclosed
US-20180215764-A1 INDAZOLONES AS MODULATORS OF TNF SIGNALING ABBVIE INC. 2018-08-02 US disclosed
US-9879016-B2 Indazolones as modulators of TNF signaling ABBVIE INC. (US) 2018-01-30 US disclosed
CN-1014790-B PROCESS FOR PREPARING NOVEL BENZOXAZOL-AND BENZOTHIAZOLAMINE DERIVATIVES AND THEIR USE JANSSEN PHARMACEUTICA NV (BE) 1991-11-20 CN disclosed
US-5010198-A Intermediates for the synthesis of benzoxazol- and benzothiazolamine derivatives, useful as anti-anoxic agents JANSSEN PHARMACEUTICA N.V. (BE) 1991-04-23 US disclosed
US-4861785-A Benzoxazol-and benzothiazolamine derivatives, useful as anti-anoxic agents JANSSEN PHARMACEUTICA N.V. (BE) 1989-08-29 US disclosed
CN-85108556-A The preparation method of novel benzoxazol base and benzothiazolyl amino derivative and application thereof 1986-07-30 CN disclosed
EP-0184257-A1 Benzoxazol- and benzothiazolamine derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1986-06-11 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-20180215764-A1 INDAZOLONES AS MODULATORS OF TNF SIGNALING TNF, TNFRSF9, TNFRSF1A CYP2C19 293/4885SMN1; SMN2 3536/4885ALDH1A1 930/4885
US-10273238-B2 Indazolones as modulators of TNF signaling TNF, TNFRSF9, TNFRSF1A CYP2C19 293/4885SMN1; SMN2 3536/4885ALDH1A1 930/4885

“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.