SCHEMBL1435517

SCHEMBL1435517

O=CC=Cc1ccccc1F

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NFE2L2 Q16236 11/20 0.65
▸ CDK4 P11802 2/20 0.57
▸ CCND1 P24385 2/20 0.57
▸ TRPA1 O75762 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ ALOX5 P09917 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ CCNB2 O95067 1/20 0.46
▸ CDK1 P06493 1/20 0.46
▸ CCNB1 P14635 1/20 0.46
▸ CCNB3 Q8WWL7 1/20 0.46
▸ MAOB P27338 1/20 0.44

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
SCHEMBL1435516 1.00 NFE2L2 (0.65) NFE2L2CDK4CCND1TRPA1ALDH1A1
SCHEMBL29405542 1.00 NFE2L2 (0.65) NFE2L2CDK4CCND1TRPA1ALDH1A1
SCHEMBL16476616 0.83 CDK4 (0.70) NFE2L2CDK4CCND1TRPA1ALDH1A1
SCHEMBL11070320 0.83 CDK4 (0.70) NFE2L2CDK4CCND1TRPA1ALDH1A1
SCHEMBL1399255 0.83 CDK4 (0.48) NFE2L2CDK4CCND1TRPA1ALDH1A1
SCHEMBL3720641 0.83 CDK4 (0.48) NFE2L2CDK4CCND1TRPA1ALDH1A1
SCHEMBL2234105 0.80 NFE2L2 (1.00) NFE2L2MAOB
SCHEMBL16933870 0.77 NFE2L2 (0.65) NFE2L2MAOB
SCHEMBL16933866 0.77 NFE2L2 (0.65) NFE2L2MAOB
SCHEMBL1759676 0.76 NFE2L2 (0.56) NFE2L2ALDH1A1LMNAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118859629-B Water-soluble photosensitive composite dry film and preparation method thereof 广东泰亚达光电有限公司 2024-12-20 — — CN claimed
CN-116855966-A Electrocatalytic preparation method of cinnamaldehyde and derivative thereof 湖南大学 2023-10-10 — — CN disclosed
CN-107827852-B Patchoulenone derivative and preparation method and application thereof 成都中医药大学 2021-08-20 — — CN disclosed
CN-108558851-B Coumarin-oxazole-ethylene type alpha-glucosidase inhibitor and preparation method and application thereof 贵州医科大学 2021-03-05 — — CN disclosed
CN-106852143-B Tricyclic triazolic compounds 埃斯蒂维制药股份公司 2019-07-16 — — CN disclosed
US-9776979-B2 EBI2 modulators SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2017-10-03 — — US disclosed
CN-106852143-A Tricyclic triazolic compounds 埃斯蒂维实验室股份有限公司 2017-06-13 — — CN disclosed
US-20160214951-A1 EBI2 MODULATORS SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE 2016-07-28 — — US disclosed
CN-103724357-B The synthetic method of a kind of 3,4-dihydropyrane also [3,2-b] indole-2-ketone compound 中国药科大学 2016-06-08 — — CN disclosed
US-8558012-B2 2-fluoro-1,3-benzodithiol 1,1,3,3-tetraoxide derivative, production method thereof, and production method of monofluoromethyl group-containing compound using the same NAGOYA INSTITUTE OF TECHNOLOGY (JP) 2013-10-15 — — US disclosed
US-8513258-B2 Cinnamoyl-piperazine derivatives and their use as par-1 antagonists PIERRE FABRE MEDICAMENT (FR) 2013-08-20 — — US disclosed
US-20120232097-A1 CINNAMOYL-PIPERAZINE DERIVATIVES AND THEIR USE AS PAR-1 ANTAGONISTS PEREZ MICHEL (FR) 2012-09-13 — — US disclosed
US-8217046-B2 Cinnamoyl-piperazine derivatives and their use as PAR-1 antagonists PIERRE FABRE MEDICAMENT (FR) 2012-07-10 — — US disclosed
US-20110319637-A1 2-FLUORO-1,3-BENZODITHIOL 1,1,3,3-TETRAOXIDE DERIVATIVE, PRODUCTION METHOD THEREOF, AND PRODUCTION METHOD OF MONOFLUOROMETHYL GROUP-CONTAINING COMPOUND USING THE SAME NAGOYA INSTITUTE OF TECHNOLOGY (JP) 2011-12-29 — — US disclosed
EP-1898908-B1 NOVEL CHEMICAL COMPOUNDS AND THE USES THEREOF AS A MEDICAMENT TROPHOS (FR) 2011-03-30 — — EP disclosed
US-20090203747-A1 NOVEL CHEMICAL COMPOUNDS AND THE USES THEREOF AS A MEDICINE TROPHOS PARC SCIENTIFIQUE LUMINY (FR) 2009-08-13 — — US disclosed
US-20090176803-A1 CINNAMOYL-PIPERAZINE DERIVATIVES AND THEIR USE AS PAR-1 ANTAGONISTS PIERRE FABRE MEDICAMENT (FR) 2009-07-09 — — US disclosed
EP-1898908-A2 NOVEL CHEMICAL COMPOUNDS AND THE USES THEREOF AS A MEDICAMENT Trophos (FR) 2008-03-19 — — EP disclosed
CN-101076332-A Pyrazole or triazole compounds and their use for the manufacture of a medicament for treating somatic mutation-related diseases PTC THERAPEUTICS INC (US) 2007-11-21 — — CN disclosed
WO-2007003767-A2 NOVEL CHEMICAL COMPOUNDS AND THE USES THEREOF AS A MEDICINE TROPHOS (FR) 2007-01-11 — — WO 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 (5 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-20090176803-A1 CINNAMOYL-PIPERAZINE DERIVATIVES AND THEIR USE AS PAR-1 ANTAGONISTS F2R, F2RL1, F2RL3 NFE2L2 1258/4885CDK4 1473/4885CCND1 1155/4885
US-20110319637-A1 2-FLUORO-1,3-BENZODITHIOL 1,1,3,3-TETRAOXIDE DERIVATIVE, PRODUCTION METHOD THEREOF, AND PRODUCTION METHOD OF MONOFLUOROMETHYL GROUP-CONTAINING COMPOUND USING THE SAME CBR1, CYP1B1, CYP2F1 NFE2L2 364/4885CDK4 4068/4885CCND1 1963/4885
US-20120232097-A1 CINNAMOYL-PIPERAZINE DERIVATIVES AND THEIR USE AS PAR-1 ANTAGONISTS F2R, F2RL1, F2RL3 NFE2L2 1258/4885CDK4 1473/4885CCND1 1155/4885
US-20160214951-A1 EBI2 MODULATORS BIRC2, HAVCR2, MAVS NFE2L2 1484/4885CDK4 1329/4885CCND1 3851/4885
US-20090203747-A1 NOVEL CHEMICAL COMPOUNDS AND THE USES THEREOF AS A MEDICINE NLN, NQO1, APP NFE2L2 83/4885CDK4 2972/4885CCND1 4576/4885

“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.

Send feedback