SCHEMBL1014700

SCHEMBL1014700

Clc1ccc(C=CCBr)cc1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.48
KCNH2 Q12809 2/20 0.47
CYP1A2 P05177 1/20 0.45
HSD17B10 Q99714 1/20 0.42
FBP1 P09467 1/20 0.42
GRIK1 P39086 1/20 0.41
GRIK2 Q13002 1/20 0.41
GRIK3 Q13003 1/20 0.41
PTGS2 P35354 2/20 0.40
ALOX5 P09917 1/20 0.39
PTGS1 P23219 1/20 0.39
NFE2L2 Q16236 1/20 0.39
LMNA P02545 1/20 0.38
CYP2A6 P11509 1/20 0.38
MAOB P27338 2/20 0.38

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
SCHEMBL1014698 1.00 AHR (0.48) AHRKCNH2CYP1A2HSD17B10FBP1
SCHEMBL18821936 0.87 ALDH1A1 (0.41) KCNH2
SCHEMBL4774169 0.79 KCNH2 (0.46) AHRKCNH2CYP1A2HSD17B10FBP1
SCHEMBL4774178 0.79 KCNH2 (0.46) AHRKCNH2CYP1A2HSD17B10FBP1
SCHEMBL3466530 0.78 CYP2C19 (0.43) GRIK1GRIK2CYP2A6
SCHEMBL73285 0.78 AHR (0.50) AHRKCNH2CYP1A2HSD17B10FBP1
SCHEMBL3466529 0.78 CYP2C19 (0.43) GRIK1GRIK2CYP2A6
SCHEMBL73286 0.78 AHR (0.50) AHRKCNH2CYP1A2HSD17B10FBP1
SCHEMBL2080531 0.76 AHR (0.48) AHRKCNH2CYP1A2HSD17B10FBP1
SCHEMBL11699628 0.76 AHR (0.48) AHRKCNH2CYP1A2HSD17B10FBP1

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
CN-117945826-A Asymmetric allyl alkylation reaction method and chiral compound 哈尔滨工业大学(深圳) 2024-04-30 CN disclosed
US-8309567-B2 Spiroindoline derivatives having insecticidal properties SYNGENTA CROP PROTECTION LLC (US) 2012-11-13 US disclosed
EP-2272858-A2 HCV inhibitors comprising beta amino acids and their uses Novartis AG (CH) 2011-01-12 EP disclosed
EP-1694676-B1 SPIROINDOLINE DERIVATIVES HAVING INSECTICIDAL PROPERTIES SYNGENTA PARTICIPATIONS AG (CH) 2009-08-26 EP disclosed
US-20090042921-A1 SPIROINDOLINE DERIVATIVES HAVING INSECTICIDAL PROPERTIES SYNGENTA PARTICIPATIONS AG (CH) 2009-02-12 US disclosed
US-20080045530-A1 Organic Compounds and Their Uses BRANDL TRIXI 2008-02-21 US disclosed
EP-1694676-A1 SPIROINDOLINE DERIVATIVES HAVING INSECTICIDAL PROPERTIES Syngenta Participations AG (CH) 2006-08-30 EP disclosed
WO-2005058897-A1 SPIROINDOLINE DERIVATIVES HAVING INSECTICIDAL PROPERTIES SYNGENTA PARTICIPATIONS AG (CH) 2005-06-30 WO disclosed
EP-0234045-B1 A PYRAZOLE OXIME DERIVATIVE AND ITS PRODUCTION AND USE NIHON NOHYAKU CO., LTD. (JP) 1992-09-02 EP disclosed
US-4843068-A INSECTICIDES, MITICIDES, FUNGICIDES NIHON NOHYAKU CO., LTD. (JP) 1989-06-27 US disclosed
EP-0234045-A2 A pyrazole oxime derivative and its production and use NIHON NOHYAKU CO., LTD. (JP) 1987-09-02 EP disclosed
US-4308273-A 1,6-Naphthyridine derivatives, and antidinic and cerebral circulation improver containing such derivatives NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1981-12-29 US disclosed
EP-0000154-B1 NEW BENZ(F)ISOINDOLINES, THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM SANDOZ AG (CH) 1981-07-29 EP disclosed
US-4171369-A ANALGESICS, ANTIDEPRESSANTS SANDOZ LTD. (CH) 1979-10-16 US disclosed
US-4164583-A SEDATIVES, TRANQUILIZERS SANDOZ LTD. (CH) 1979-08-14 US disclosed
EP-0000154-A1 New benz(f)isoindolines, their preparation and medicaments containing them SANDOZ AG (CH) 1979-01-10 EP disclosed
US-3956374-A Aryl-oxo-heptenoic acids MERCK & CO., INC. (US) 1976-05-11 US 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-20090042921-A1 SPIROINDOLINE DERIVATIVES HAVING INSECTICIDAL PROPERTIES CHRM1, CHRM2, ACHE AHR 1535/4885KCNH2 320/4885CYP1A2 144/4885
US-20080045530-A1 Organic Compounds and Their Uses OAT, OTC, AOX1 AHR 591/4885KCNH2 2359/4885CYP1A2 111/4885

“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.