SCHEMBL1765685

SCHEMBL1765685

Cc1c(O)ccc(Br)c1C

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.40
ALOX15 P16050 2/20 0.40
ATM Q13315 1/20 0.40
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 3/20 0.38
GAA P10253 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ESR2 Q92731 7/20 0.36
ESR1 P03372 6/20 0.36
NQO2 P16083 1/20 0.35
TP53 P04637 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MAPK1 P28482 1/20 0.34
HTT P42858 2/20 0.34
CSNK2A1 P68400 1/20 0.34
ALOX12 P18054 1/20 0.33
ACHE P22303 1/20 0.33
AR P10275 1/20 0.32

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
SCHEMBL29380074 0.82 ALDH1A1 (0.42) ALDH1A1TDP1MAPK1ACHE
SCHEMBL1590024 0.82 ALDH1A1 (0.42) ALDH1A1TDP1MAPK1ACHE
SCHEMBL68013 0.82 TRPA1 (0.53) TRPA1ALOX15ATMKDM4EALDH1A1
SCHEMBL29457565 0.82 TRPA1 (0.53) TRPA1ALOX15ATMKDM4EALDH1A1
SCHEMBL5872088 0.81 ALOX15 (0.39) TRPA1ALOX15ATMKDM4EALDH1A1
SCHEMBL28562792 0.81 KDM4E (0.46) TRPA1ALOX15ATMKDM4EALDH1A1
SCHEMBL6062069 0.81 ALDH1A1 (0.41) TRPA1ALOX15ATMKDM4EALDH1A1
SCHEMBL12865508 0.81 ALOX15 (0.39) TRPA1ALOX15ATMKDM4EALDH1A1
SCHEMBL2602667 0.77 ESR1 (0.36) TRPA1ALOX15ATMKDM4EALDH1A1
SCHEMBL3172727 0.77 ALDH1A1 (0.38) TRPA1ALOX15ATMKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6989052-B1 Phase change ink printing process XEROX CORPORATION (US) 2006-01-24 US claimed
WO-2025007401-A1 CONSTRUCT FOR REAL-TIME TRACING OF SPATIAL GENOME CONFORMATION AND TRANSCRIPTION PRODUCTS IN LIVING CELLS AND USE THEREOF 生物岛实验室 2025-01-09 WO disclosed
US-11807621-B2 Compounds and compositions for use in treating skin disorders KAMARI PHARMA LTD. (IL) 2023-11-07 US disclosed
WO-2022216945-A1 MACROCYCLIC MCL1 INHIBITORS AND USES THEREOF CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2022-10-13 WO disclosed
CN-114702411-A Method for producing 1, 2-benzenedimethanol compound 高文作物保护公司 2022-07-05 CN disclosed
CN-108602765-B Method for producing 1, 2-benzenedimethanol compound 高文有限公司 2022-05-03 CN disclosed
US-11274076-B2 Process for preparing 1, 2-benzenedimethanol compound GOWAN COMPANY, L.L.C. (US) 2022-03-15 US disclosed
EP-3415496-B1 PROCESS FOR PREPARING 1,2-BENZENEDIMETHANOL COMPOUND GOWAN COMPANY L L C (US) 2021-07-21 EP disclosed
US-20200399263-A1 PROCESS FOR PREPARING 1, 2-BENZENEDIMETHANOL COMPOUND BANK OF AMERICA, N.A., AS ADMINISTRATIVE AGENT 2020-12-24 US disclosed
EP-3029030-B1 TETRAZOLINONE COMPOUND, AND USE THEREFOR SUMITOMO CHEMICAL CO (JP) 2019-09-04 EP disclosed
WO-2004063155-A1 FUSED HETEROCYCLIC DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2004-07-29 WO disclosed
CN-1468275-A Preparation of high intrinsic viscosity poly(arylene ether) resins 通用电气公司 2004-01-14 CN disclosed
EP-1140896-A1 BENZOTHIEPIN-ANILIDE DERIVATIVES, THEIR PRODUCTION AND THEIR USE FOR ANTAGONIZING CCR-5 Takeda Chemical Industries, Ltd. (JP) 2001-10-10 EP disclosed
US-6235771-B1 AIDS THERPAY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-05-22 US disclosed
WO-2000037455-A1 BENZOTHIEPIN-ANILIDE DERIVATIVES, THEIR PRODUCTION AND THEIR USE FOR ANTAGONIZING CCR-5 TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-06-29 WO disclosed
EP-0600084-A1 INDOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-06-08 EP disclosed
EP-0598750-A1 INDOLES Pfizer Limited (GB) 1994-06-01 EP disclosed
WO-1993003012-A1 INDOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-02-18 WO disclosed
WO-1993002050-A1 INDOLES PFIZER LIMITED (GB) 1993-02-04 WO disclosed
EP-0322926-A2 Assays utilizing improved chemiluminescent esters, thioesters and amides LONDON DIAGNOSTICS, INC. (US) 1989-07-05 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 (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-20200399263-A1 PROCESS FOR PREPARING 1, 2-BENZENEDIMETHANOL COMPOUND ADH1A, ADH1C, CYP2E1 TRPA1 970/4885ALOX15 1209/4885ATM 2171/4885
US-11274076-B2 Process for preparing 1, 2-benzenedimethanol compound ADH1A, ADH1C, CYP2E1 TRPA1 970/4885ALOX15 1209/4885ATM 2171/4885
US-11807621-B2 Compounds and compositions for use in treating skin disorders RDX, HAX1, F12 TRPA1 1197/4885ALOX15 3471/4885ATM 3391/4885

“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.