SCHEMBL454010

SCHEMBL454010

CC(C)(C)OC(=O)/C=C/c1ccc(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
SCHEMBL454011 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 50 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
CN-108137511-A Prepare (E) -3- (4- ((E) -2- (the chloro- 4- fluorophenyls of 2-) -1- (1H- indazole -5- bases) but-1-ene -1- bases) phenyl) acrylic acid 豪夫迈·罗氏有限公司 2018-06-08 CN 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-112543764-B Amide compound with BET proteolytic induction effect and medical application thereof 田边三菱制药株式会社 2024-05-10 CN disclosed
EP-3615514-B1 PROPIONIC ACID DERIVATIVES AND METHODS OF USE THEREOF AVIARA PHARMACEUTICALS INC (US) 2023-11-22 EP disclosed
US-11542273-B2 Amide compound having bet proteolysis-inducing action and medicinal application thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2023-01-03 US disclosed
US-11542273-B2 Amide compound having bet proteolysis-inducing action and medicinal application thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2023-01-03 US disclosed
US-20210284654-A1 AMIDE COMPOUND HAVING BET PROTEOLYSIS-INDUCING ACTION AND MEDICINAL APPLICATION THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2021-09-16 US disclosed
CN-112543764-A Amide compound with BET proteolysis induction effect and medical application thereof 田边三菱制药株式会社 2021-03-23 CN 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 (6 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-11542273-B2 Amide compound having bet proteolysis-inducing action and medicinal application thereof BET1, BRD4, PHKB SMN1; SMN2 4500/4885NPC1 3288/4885RAB9A 2761/4885
US-20210284654-A1 AMIDE COMPOUND HAVING BET PROTEOLYSIS-INDUCING ACTION AND MEDICINAL APPLICATION THEREOF BET1, BRD4, PHKB SMN1; SMN2 4459/4885NPC1 3072/4885RAB9A 2750/4885
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.