SCHEMBL736975

SCHEMBL736975

Oc1ccc2c(c1)-c1ccccc1-2

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 1/20 0.64
CDK5R1 Q15078 1/20 0.64
ALOX5 P09917 2/20 0.54
ESR2 Q92731 5/20 0.52
ESR1 P03372 4/20 0.52
MAOA P21397 1/20 0.52
UGT1A1 P22309 1/20 0.52
MAOB P27338 1/20 0.52
CYP1A2 P05177 1/20 0.48
ABL1 P00519 1/20 0.46
ABCB1 P08183 1/20 0.46
BCR P11274 1/20 0.46
PDK2 Q15119 2/20 0.45
CA2 P00918 2/20 0.45
CA9 Q16790 2/20 0.45
CA12 O43570 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
CYP3A4 P08684 1/20 0.45
CA5A P35218 1/20 0.45

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
SCHEMBL28364176 1.00 CDK5 (0.64) CDK5CDK5R1ALOX5ESR2ESR1
SCHEMBL28367457 1.00 CDK5 (0.64) CDK5CDK5R1ALOX5ESR2ESR1
Water SCHEMBL21885864 0.97 CDK5 (0.61) CDK5CDK5R1ALOX5ESR2ESR1
SCHEMBL8210089 0.88 ESR1 (0.67) CDK5CDK5R1ESR2ESR1MAOA
SCHEMBL2029500 0.88 ESR1 (0.74) CDK5CDK5R1ESR2ESR1MAOA
SCHEMBL14850418 0.86 ALOX5 (0.65) CDK5CDK5R1ALOX5ESR2ESR1
SCHEMBL31121009 0.85 ALOX5 (0.71) CDK5CDK5R1ALOX5ESR2ESR1
SCHEMBL29786722 0.84 ALOX5 (0.63) CDK5CDK5R1ALOX5ESR2ESR1
SCHEMBL143100 0.83 ESR1 (0.82) CDK5CDK5R1ESR2ESR1MAOA
SCHEMBL18885226 0.83 CDK5 (0.53) CDK5CDK5R1ALOX5ESR2ESR1

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2067782-B2 HETEROACENE DERIVATIVE, TETRAHALOTERPHENYL DERIVATIVE, AND THEIR PRODUCTION METHODS TOSOH CORP (JP) 2018-06-27 EP disclosed
US-20170190842-A1 O-HYDROXY-FUNCTIONALIZED DIAMINES, POLYIMIDES, METHODS OF MAKING EACH, AND METHODS OF USE KING ABDULLAH UNIVERSITY OF SCIENCE AND TECHNOLOGY (SA) 2017-07-06 US disclosed
EP-1867623-B1 TERPHENYLENE DERIVATIVES, TETRAHALOTERPHENYL DERIVATIVES AND PROCESSES FOR THE PRODUCTION OF BOTH TOSOH CORP (JP) 2017-05-10 EP disclosed
EP-2067782-B1 HETEROACENE DERIVATIVE, TETRAHALOTERPHENYL DERIVATIVE, AND THEIR PRODUCTION METHODS TOSOH CORP (JP) 2014-08-13 EP disclosed
EP-2492988-A1 ORGANIC ELECTROLUMINESCENT ELEMENT Sumitomo Chemical Company, Limited (JP) 2012-08-29 EP disclosed
US-20120199825-A1 ORGANIC ELECTROLUMINESCENT DEVICE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-08-09 US disclosed
US-8138355-B2 Heteroacene derivative, tetrahaloterphenyl derivative, and processes for producing the same TOSOH CORPORATION (JP) 2012-03-20 US disclosed
US-7985885-B2 Terphenylene derivative, tetrahaloterphenyl derivative, and processes for producing both TOSOH CORPORATION (JP) 2011-07-26 US disclosed
US-20090261300-A1 HETEROACENE DERIVATIVE, TETRAHALOTERPHENYL DERIVATIVE, AND PROCESSES FOR PRODUCING THE SAME TOSOH CORPORATION (JP) 2009-10-22 US disclosed
EP-2067782-A1 HETEROACENE DERIVATIVE, TETRAHALOTERPHENYL DERIVATIVE, AND THEIR PRODUCTION METHODS Tosoh Corporation (JP) 2009-06-10 EP disclosed
US-20090023957-A1 TERPHENYLENE DERIVATIVE, TETRAHALOTERPHENYL DERIVATIVE, AND PROCESSES FOR PRODUCING BOTH TOSOH CORPORATION (JP) 2009-01-22 US disclosed
EP-1379675-B1 METHOD FOR THE OXIDATION OF AROMATIC COMPOUNDS BASF SE (DE) 2008-11-05 EP disclosed
US-7368267-B2 Biocatalytic oxidation, carboxylation, hydrolysis in a culture, using recombinant xylene monooxygenase, expressed by transformed microorganisms; producing substituted benzyl alcohol, benzaldehyde and benzoic acid, as chemical intermediates BASF AKTIENGESELLSCHAFT (DE) 2008-05-06 US disclosed
EP-1867623-A1 TERPHENYLENE DERIVATIVES, TETRAHALOTERPHENYL DERIVATIVES AND PROCESSES FOR THE PRODUCTION OF BOTH Tosoh Corporation (JP) 2007-12-19 EP disclosed
CN-1181040-C Fumarate derivative and process for producing the same 昭和电工株式会社 2004-12-22 CN disclosed
US-20040106177-A1 Method for the oxidation of aromatic compounds BASF AKTIENGESELLSCHAFT (DE) 2004-06-03 US disclosed
CN-1386116-A Fumarate derivative, method for producing the same SHOWA DENKO KK (JP) 2002-12-18 CN 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 (3 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-20090261300-A1 HETEROACENE DERIVATIVE, TETRAHALOTERPHENYL DERIVATIVE, AND PROCESSES FOR PRODUCING THE SAME AS3MT, TERT, TEAD1 CDK5 3431/4885CDK5R1 3602/4885ALOX5 1701/4885
US-20090023957-A1 TERPHENYLENE DERIVATIVE, TETRAHALOTERPHENYL DERIVATIVE, AND PROCESSES FOR PRODUCING BOTH TERT, TLN1, TTI1 CDK5 2527/4885CDK5R1 3465/4885ALOX5 1660/4885
US-20170190842-A1 O-HYDROXY-FUNCTIONALIZED DIAMINES, POLYIMIDES, METHODS OF MAKING EACH, AND METHODS OF USE ALKBH3, AOC1, PAM CDK5 4047/4885CDK5R1 4633/4885ALOX5 997/4885

“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.