SCHEMBL12433

SCHEMBL12433

Cc1cc2cc(F)ccc2[nH]1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 2/20 0.59
CYP2A6 P11509 1/20 0.59
NFE2L2 Q16236 1/20 0.56
AXL P30530 1/20 0.55
KDM4E B2RXH2 3/20 0.52
ALDH1A1 P00352 2/20 0.52
LMNA P02545 2/20 0.52
PDPK1 O15530 1/20 0.52
HPGD P15428 1/20 0.52
TSHR P16473 1/20 0.52
NFKB1 P19838 1/20 0.52
APEX1 P27695 1/20 0.52
CYP2C19 P33261 1/20 0.52
HSD17B10 Q99714 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
DAO P14920 1/20 0.52
CYP1A1 P04798 2/20 0.50
AHR P35869 1/20 0.47
FLT3 P36888 4/20 0.46
MAPT P10636 2/20 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
SCHEMBL19914883 0.86 CYP1A1 (0.67) KEAP1CYP2A6NFE2L2AXLKDM4E
Acetic Acid Methyl Ester SCHEMBL27544473 0.85 FLT3 (0.52) KEAP1CYP2A6NFE2L2AXLKDM4E
SCHEMBL2993745 0.83 KEAP1 (0.52) KEAP1CYP2A6NFE2L2AXLKDM4E
Tert-Butyl Formate SCHEMBL27601678 0.82 KEAP1 (0.45) KEAP1CYP2A6NFE2L2AXLKDM4E
SCHEMBL12574858 0.78 KDM4E (0.47) KEAP1NFE2L2KDM4EALDH1A1LMNA
SCHEMBL75581 0.77 CYP2A6 (0.63) KEAP1CYP2A6AXLKDM4EALDH1A1
SCHEMBL29727931 0.77 CYP2A6 (0.63) KEAP1CYP2A6AXLKDM4EALDH1A1
SCHEMBL8344266 0.74 CYP2A6 (0.59) KEAP1CYP2A6AXLKDM4EALDH1A1
SCHEMBL7669990 0.74 CYP2A6 (0.59) KEAP1CYP2A6AXLKDM4EALDH1A1
SCHEMBL11436421 0.74 DAO (0.61) KDM4EALDH1A1LMNAPDPK1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112111557-A Surfactant-free urine analysis quality control liquid 成都恩普瑞生物工程有限公司 2020-12-22 CN claimed
CN-106995400-B A kind of compound and its salt and its synthetic method 湘潭大学 2019-08-06 CN claimed
EP-3083557-B1 PROCESS FOR THE PREPARATION OF 3-SUBSTITUTED (INDOL-1-YL)-ACETIC ACID ESTERS ATOPIX THERAPEUTICS LTD (GB) 2017-11-29 EP claimed
US-9828359-B2 Process for the preparation of 3-substituted (indol-1-yl)-acetic acid esters ATOPIX THERAPEUTICS LIMITED (GB) 2017-11-28 US claimed
US-20170305879-A1 PROCESS FOR THE PREPARATION OF 3-SUBSTITUTED (INDOL-1-YL)-ACETIC ACID ESTERS ZACH SYSTEM SPA (IT) 2017-10-26 US claimed
EP-3131880-A1 ARYL AND HETEROARYL ETHER COMPOUNDS AS ROR GAMMA MODULATORS Glenmark Pharmaceuticals S.A. (CH) 2017-02-22 EP claimed
EP-3083557-A1 PROCESS FOR THE PREPARATION OF 3-SUBSTITUTED (INDOL-1-YL)-ACETIC ACID ESTERS Atopix Therapeutics Limited (GB) 2016-10-26 EP claimed
WO-2015159233-A1 ARYL AND HETEROARYL ETHER COMPOUNDS AS ROR GAMMA MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2015-10-22 WO claimed
EP-2791129-B1 PROCESS FOR THE PREPARATION OF (5-FLUORO-2-METHYL-3-QUINOLIN-2-YLMETHYL-INDOL-1-YL)-ACETIC ACID ESTERS ATOPIX THERAPEUTICS LTD (GB) 2015-10-07 EP claimed
US-9102658-B2 Process for the preparation of (5-fluoro-2-methyl-3-quinolin-2-ylmethyl-indol-1-y1)-acetic acid esters ATOPIX THERAPEUTICS LIMITED (GB) 2015-08-11 US claimed
WO-2015092372-A1 PROCESS FOR THE PREPARATION OF 3-SUBSTITUTED (INDOL-1-YL)-ACETIC ACID ESTERS ATOPIX THERAPEUTICS LIMITED (GB) 2015-06-25 WO claimed
US-20140350264-A1 Process for the Preparation of (5-Fluoro-2-methyl-3-quinolin-2-ylmethyl-indol-1-yl)-Acetic Acid Esters OXAGEN LIMITED (GB) 2014-11-27 US claimed
EP-2791129-A1 PROCESS FOR THE PREPARATION OF (5-FLUORO-2-METHYL-3-QUINOLIN-2-YLMETHYL-INDOL-1-YL)-ACETIC ACID ESTERS Atopix Therapeutics Limited (GB) 2014-10-22 EP claimed
WO-2013088108-A1 PROCESS FOR THE PREPARATION OF (5-FLUORO-2-METHYL-3-QUINOLIN-2-YLMETHYL-INDOL-1-YL)-ACETIC ACID ESTERS OXAGEN LIMITED (GB) 2013-06-20 WO claimed
EP-4710923-A2 INDOLE AHR INHIBITORS AND USES THEREOF Ikena Oncology, Inc. (US) 2026-03-18 EP disclosed
US-12522582-B2 Antiviral indolinyl compounds and uses thereof GILEAD SCIENCES, INC. (US) 2026-01-13 US disclosed
EP-3612030-B1 INDOLE AHR INHIBITORS AND USES THEREOF IKENA ONCOLOGY INC (US) 2025-12-24 EP disclosed
US-4021448-A ANTISECRETORY AND ANTIULCER ACTIVITIES STERLING DRUG INC. (US) 1977-05-03 US disclosed
US-4006127-A Cationic diazacyanine dyestuffs BAYER AKTIENGESELLSCHAFT (DT) 1977-02-01 US disclosed
US-3956267-A Indole-containing disazo dyestuffs having a sulfatoalkyleneoxy-substituent BAYER AKTIENGESELLSCHAFT (DT) 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-20140350264-A1 Process for the Preparation of (5-Fluoro-2-methyl-3-quinolin-2-ylmethyl-indol-1-yl)-Acetic Acid Esters ADH1C, ALDH7A1, AKR1C1 KEAP1 1211/4885CYP2A6 23/4885NFE2L2 1885/4885
US-20170305879-A1 PROCESS FOR THE PREPARATION OF 3-SUBSTITUTED (INDOL-1-YL)-ACETIC ACID ESTERS IDO1, IDO2, SI KEAP1 2738/4885CYP2A6 1079/4885NFE2L2 2630/4885

“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.