SCHEMBL454011

SCHEMBL454011

CC(C)(C)OC(=O)C=Cc1ccc(Br)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
RECQL P46063 1/20 0.51
MAOB P27338 3/20 0.49
MAOA P21397 2/20 0.49
LMNA P02545 3/20 0.48
CYP1A2 P05177 3/20 0.48
ALDH1A1 P00352 2/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
ESR1 P03372 2/20 0.46
ESR2 Q92731 1/20 0.46
CA12 O43570 3/20 0.46
CA1 P00915 3/20 0.46
CA2 P00918 3/20 0.46
CA7 P43166 3/20 0.46
CA9 Q16790 3/20 0.46
CA14 Q9ULX7 3/20 0.46

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
SCHEMBL454010 1.00 SMN1; SMN2 (0.51) SMN1; SMN2NPC1RAB9ARECQLMAOB
SCHEMBL1482447 0.91 MAOB (0.63) RAB9ARECQLMAOBMAOAALDH1A1
SCHEMBL4055672 0.91 CA12 (0.53) NPC1RAB9ALMNACYP1A2ALDH1A1
SCHEMBL4055668 0.91 CA12 (0.53) NPC1RAB9ALMNACYP1A2ALDH1A1
SCHEMBL13845314 0.91 CA12 (0.53) NPC1RAB9ALMNACYP1A2ALDH1A1
SCHEMBL4065768 0.86 CA12 (0.49) CYP1A2ESR1CA12CA1CA2
SCHEMBL4065769 0.86 CA12 (0.49) CYP1A2ESR1CA12CA1CA2
SCHEMBL30628952 0.85 PTPN1 (0.48) SMN1; SMN2NPC1RAB9ARECQLMAOB
SCHEMBL26750709 0.85 PTPN1 (0.48) SMN1; SMN2NPC1RAB9ARECQLMAOB
SCHEMBL799522 0.84 MAPT (0.53) RAB9AMAOBMAOAALDH1A1ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3208301-B1 RESIN COMPOSITION AND OPTICAL COMPENSATION FILM USING SAME TOSOH CORP (JP) 2019-04-03 EP claimed
US-10126478-B2 Resin composition and optical compensation film using same TOSOH CORPORATION (JP) 2018-11-13 US claimed
US-9975856-B2 Process for the preparation of (E)-3-(4-((E)-2-(2-chloro-4-fluorophenyl)-1-(1H-indazol-5-yl)but-1-en-1-yl)phenyl)acrylic acid GENENTECH, INC. (US) 2018-05-22 US claimed
US-20170242174-A1 RESIN COMPOSITION AND OPTICAL COMPENSATION FILM USING SAME TOSOH CORPORATION (JP) 2017-08-24 US claimed
EP-3208301-A1 RESIN COMPOSITION AND OPTICAL COMPENSATION FILM USING SAME Tosoh Corporation (JP) 2017-08-23 EP claimed
US-20170101380-A1 PROCESS FOR THE PREPARATION OF (E)-3-(4-((E)-2-(2-CHLORO-4-FLUOROPHENYL)-1-(1H-INDAZOL-5-YL)BUT-1-EN-1-YL)PHENYL)ACRYLIC ACID GENENTECH, INC. (US) 2017-04-13 US claimed
CN-112243439-A Pyrrolo [2,3-B ] pyridines or pyrrolo [2,3-B ] pyrazines as HPK1 inhibitors and uses thereof 百济神州有限公司 2021-01-19 CN disclosed
CN-106795327-B Resin composition and optical compensation film using the same 东曹株式会社 2019-08-30 CN disclosed
EP-3208301-B1 RESIN COMPOSITION AND OPTICAL COMPENSATION FILM USING SAME TOSOH CORP (JP) 2019-04-03 EP disclosed
US-10126478-B2 Resin composition and optical compensation film using same TOSOH CORPORATION (JP) 2018-11-13 US disclosed
US-9975856-B2 Process for the preparation of (E)-3-(4-((E)-2-(2-chloro-4-fluorophenyl)-1-(1H-indazol-5-yl)but-1-en-1-yl)phenyl)acrylic acid GENENTECH, INC. (US) 2018-05-22 US disclosed
US-20170242174-A1 RESIN COMPOSITION AND OPTICAL COMPENSATION FILM USING SAME TOSOH CORPORATION (JP) 2017-08-24 US disclosed
EP-3208301-A1 RESIN COMPOSITION AND OPTICAL COMPENSATION FILM USING SAME Tosoh Corporation (JP) 2017-08-23 EP disclosed
CN-100491353-C Carboxylic acid derivatives inhibiting the binding of integrins to their receptors TEXAS BIOTECHNOLOGIES CORP (US) 2009-05-27 CN disclosed
US-20090076020-A1 Cyclopropyl Amide Derivatives 978 ASTRAZENECA AB (SE) 2009-03-19 US disclosed
US-20060276476-A1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors BIEDIGER RONALD J 2006-12-07 US disclosed
US-6972296-B2 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors ENCYSIVE PHARMACEUTICALS INC. (US) 2005-12-06 US disclosed
US-20040063955-A1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors ENCYSIVE PHARMACEUTICALS INC. 2004-04-01 US disclosed
CN-1412181-A Carboxylic acid derivatives inhibiting the binding of integrins to their receptors TEXAS BIOTECHNOLOGIES CORP (US) 2003-04-23 CN disclosed
EP-1203766-A2 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors TEXAS BIOTECHNOLOGY CORPORATION (US) 2002-05-08 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 (4 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-20060276476-A1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors VCAM1, ICAM1, ITGA1 SMN1; SMN2 2958/4885NPC1 1929/4885RAB9A 2399/4885
US-20040063955-A1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors VCAM1, ICAM1, FN1 SMN1; SMN2 2960/4885NPC1 1856/4885RAB9A 3196/4885
US-20170101380-A1 PROCESS FOR THE PREPARATION OF (E)-3-(4-((E)-2-(2-CHLORO-4-FLUOROPHENYL)-1-(1H-INDAZOL-5-YL)BUT-1-EN-1-YL)PHENYL)ACRYLIC ACID ESR1, ESR2, GPER1 SMN1; SMN2 4689/4885NPC1 2804/4885RAB9A 2087/4885
US-20090076020-A1 Cyclopropyl Amide Derivatives 978 HRH4, HRH2, HRH3 SMN1; SMN2 3898/4885NPC1 384/4885RAB9A 984/4885

“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.