SCHEMBL19944381

SCHEMBL19944381

Cc1c(O)ccc(F)c1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.40
CA9 Q16790 2/20 0.40
ATM Q13315 2/20 0.40
CA3 P07451 1/20 0.40
CA6 P23280 1/20 0.40
CA5A P35218 1/20 0.40
CA14 Q9ULX7 1/20 0.40
CA5B Q9Y2D0 1/20 0.40
ESR1 P03372 2/20 0.35
ESR2 Q92731 2/20 0.35
TP53 P04637 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
KDM4E B2RXH2 2/20 0.34
MAPK1 P28482 1/20 0.34
MPI P34949 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
DAO P14920 1/20 0.34
HSD17B1 P14061 1/20 0.34
HSD17B2 P37059 1/20 0.34
MEN1 O00255 3/20 0.34

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
SCHEMBL29449508 1.00 TRPA1 (0.40) TRPA1CA9ATMCA3CA6
SCHEMBL68013 0.82 TRPA1 (0.53) TRPA1ATMESR1ESR2TP53
SCHEMBL29620265 0.82 ACHE (0.42) CA9CA3CA6CA5ACA14
SCHEMBL29457565 0.82 TRPA1 (0.53) TRPA1ATMESR1ESR2TP53
SCHEMBL384037 0.82 ACHE (0.42) CA9CA3CA6CA5ACA14
SCHEMBL2756173 0.81 CA3 (0.39) TRPA1CA9ATMCA3CA6
SCHEMBL12582798 0.81 TRPA1 (0.39) TRPA1CA9ATMCA3CA6
SCHEMBL5669068 0.81 MEN1 (0.40) TRPA1CA9ATMCA3CA6
SCHEMBL22133743 0.81 CA6 (0.39) TRPA1CA9CA3CA6CA5A
SCHEMBL9380980 0.79 ALDH1A1 (0.39) TRPA1CA9CA3CA6CA5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110776441-B Synthesis method of 4-fluoro-2, 3-dimethylphenylmethylsulfonate 西安淳甄新材料有限公司 2022-03-22 CN claimed
CN-108069831-B Method for synthesizing 2, 3-dimethyl-4-fluorophenol 上海恩氟佳科技有限公司 2020-11-24 CN claimed
CN-110776441-A Synthesis method of 4-fluoro-2, 3-dimethylphenylmethylsulfonate 西安淳甄新材料有限公司 2020-02-11 CN claimed
CN-108069831-A A kind of method for synthesizing 2,3- dimethyl -4- fluorophenols 上海恩氟佳科技有限公司 2018-05-25 CN claimed
US-12030880-B2 Iminosulfanone compound as bromodomain protein inhibitor and pharmaceutical composition and medical use thereof CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2024-07-09 US disclosed
US-20230227472-A1 FUSED PYRIDONE COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI JEMINCARE PHARMACEUTICALS CO., LTD (CN) 2023-07-20 US 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
CN-110776441-B Synthesis method of 4-fluoro-2, 3-dimethylphenylmethylsulfonate 西安淳甄新材料有限公司 2022-03-22 CN disclosed
CN-110776441-B Synthesis method of 4-fluoro-2, 3-dimethylphenylmethylsulfonate 西安淳甄新材料有限公司 2022-03-22 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
CN-110776441-A Synthesis method of 4-fluoro-2, 3-dimethylphenylmethylsulfonate 西安淳甄新材料有限公司 2020-02-11 CN disclosed
CN-110776441-A Synthesis method of 4-fluoro-2, 3-dimethylphenylmethylsulfonate 西安淳甄新材料有限公司 2020-02-11 CN disclosed
EP-3415496-A1 METHOD FOR PRODUCING 1, 2-BENZENE DIMETHANOL COMPOUND SDS Biotech K. K. (JP) 2018-12-19 EP disclosed
CN-108602765-A Method for producing 1, 2-benzenedimethanol compound SDS生物技术株式会社 2018-09-28 CN disclosed
CN-108069831-A A kind of method for synthesizing 2,3- dimethyl -4- fluorophenols 上海恩氟佳科技有限公司 2018-05-25 CN disclosed
CN-108069831-A A kind of method for synthesizing 2,3- dimethyl -4- fluorophenols 上海恩氟佳科技有限公司 2018-05-25 CN disclosed
WO-2018044136-A1 NOVEL COMPOUND, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT FOR PREVENTING OR TREATING DISEASES ASSOCIATED WITH POLY(ADP-RIBOSE) POLYMERASE-1 (PARP-1) 충남대학교 산학협력단 2018-03-08 WO disclosed
CN-102762532-B The manufacture method of cyano group alkenyl cyclopropanecarboxylic acid salt SUMITOMO CHEMICAL CO.,LTD. (JP) 2015-07-29 CN 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-12030880-B2 Iminosulfanone compound as bromodomain protein inhibitor and pharmaceutical composition and medical use thereof BRD4, BRD1, BRD3 TRPA1 3975/4885CA9 4114/4885ATM 789/4885
US-20230227472-A1 FUSED PYRIDONE COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF KRAS, NRAS, WEE1 TRPA1 2960/4885CA9 3697/4885ATM 3337/4885
US-11274076-B2 Process for preparing 1, 2-benzenedimethanol compound ADH1A, ADH1C, CYP2E1 TRPA1 970/4885CA9 332/4885ATM 2171/4885

“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.