SCHEMBL114114

SCHEMBL114114

Nc1cc(F)cc(F)c1F

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
CES2 O00748 4/20 0.42
CES1 P23141 4/20 0.42
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
BACE1 P56817 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA13 Q8N1Q1 1/20 0.33
TYMS P04818 1/20 0.32
PTK2 Q05397 1/20 0.32
HDAC1 Q13547 1/20 0.31
LMNA P02545 1/20 0.31
CA9 Q16790 1/20 0.30
HSD17B1 P14061 1/20 0.30
HSD17B2 P37059 1/20 0.30
TAAR1 Q96RJ0 1/20 0.30
ERN1 O75460 1/20 0.30

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
SCHEMBL1461822 0.84 ALDH1A1 (0.41) ALDH1A1CES2CES1CA12CA1
Phenol SCHEMBL27620142 0.81 CA12 (0.42) ALDH1A1CES2CES1CA12CA1
Benzenethiol SCHEMBL27437857 0.79 ALDH1A1 (0.38) ALDH1A1CES2CES1HDAC1
SCHEMBL531337 0.77 CES2 (0.52) ALDH1A1CES2CES1CA12CA1
SCHEMBL5515689 0.77 ALDH1A1 (0.36) ALDH1A1CES2CES1CA12CA1
SCHEMBL29674864 0.77 ALDH1A1 (0.48) ALDH1A1CES2CES1CA12CA1
SCHEMBL101668 0.77 ALDH1A1 (0.48) ALDH1A1CES2CES1CA12CA1
SCHEMBL9154640 0.74 ALDH1A1 (0.46) ALDH1A1CES2CES1CA1CA2
SCHEMBL998262 0.73 ALDH1A1 (0.38) ALDH1A1CES2CES1CA12CA1
SCHEMBL29402276 0.72 ALDH1A1 (0.39) ALDH1A1CES2CES1LMNATAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119707773-A Preparation method and application of maleimide structure-containing compound 中国农业大学 2025-03-28 CN claimed
CN-118930473-A Preparation method of 4,6, 7-trifluoro-1H-indole-2-carboxylic acid 上海鲲博玖瑞医药科技发展有限公司 2024-11-12 CN claimed
CN-116396204-B Preparation method of 4,6, 7-trifluoro-1H-indole-2-carboxylic acid 无锡科华生物科技有限公司 2024-09-24 CN claimed
CN-118183708-A Method for preparing fluorocarbon material by using fluorine-containing polymer 重庆大学锂电及新材料遂宁研究院 2024-06-14 CN claimed
CN-116396204-A Preparation method of 4,6,7-trifluoro-1H-indole-2-carboxylic acid 无锡科华生物科技有限公司 2023-07-07 CN claimed
WO-2007130712-A1 SUBSTITUTED DIPIPERIDINE AS CCR2 ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES JANSSEN PHARMACEUTICA, NV (BE) 2007-11-15 WO claimed
US-20070197590-A1 SUBSTITUTED DIPIPERIDINE CCR2 ANTAGONISTS JANSSEN PHARMACEUTCA N.V. (BE) 2007-08-23 US claimed
US-12384778-B2 Pyrazolopyridine compounds and uses thereof INCYTE CORPORATION (US) 2025-08-12 US disclosed
CN-120058508-A Preparation method of 2,4, 5-trifluoro-phenylacetic acid 浙江昌海制药有限公司 2025-05-30 CN disclosed
CN-119707773-A Preparation method and application of maleimide structure-containing compound 中国农业大学 2025-03-28 CN disclosed
CN-118930473-A Preparation method of 4,6, 7-trifluoro-1H-indole-2-carboxylic acid 上海鲲博玖瑞医药科技发展有限公司 2024-11-12 CN disclosed
CN-118930473-A Preparation method of 4,6, 7-trifluoro-1H-indole-2-carboxylic acid 上海鲲博玖瑞医药科技发展有限公司 2024-11-12 CN disclosed
CN-116396204-B Preparation method of 4,6, 7-trifluoro-1H-indole-2-carboxylic acid 无锡科华生物科技有限公司 2024-09-24 CN disclosed
WO-2000024719-A1 PROSTAGLANDIN ENDOPEROXIDE H SYNTHASE BIOSYNTHESIS INHIBITORS ABBOTT LABORATORIES (US) 2000-05-04 WO disclosed
WO-1999010331-A1 ARYLPYRIDAZINONES AS PROSTAGLANDIN ENDOPEROXIDE H SYNTHASE BIOSYNTHESIS INHIBITORS ABBOTT LABORATORIES (US) 1999-03-04 WO disclosed
EP-0596130-B1 PRODUCTION OF 2-HALO-3,5-DIFLUOROANILINE, INTERMEDIATE FOR PRODUCING THE SAME, AND PRODUCTION OF SAID INTERMEDIATE SDS BIOTECH CORP (JP) 1997-09-24 EP disclosed
EP-0596130-A1 PRODUCTION OF 2-HALO-3,5-DIFLUOROANILINE, INTERMEDIATE FOR PRODUCING THE SAME, AND PRODUCTION OF SAID INTERMEDIATE SDS Biotech K.K. (JP) 1994-05-11 EP disclosed
US-4873357-A Trifluoro acetyl-cyano-aniline intermediates for dopamine-βhydroxylase inhibitors SMITHKLINE BECKMAN CORPORATION (US) 1989-10-10 US disclosed
US-4719223-A ENZYME INHIBITORS, HYPOTENSIVE, CARDIOTONIC DIURETIC SMITHKLINE BECKMAN CORPORATION (US) 1988-01-12 US disclosed
EP-0221778-A2 Dopamine-beta-hydroxylase inhibitors SMITHKLINE BECKMAN CORPORATION (US) 1987-05-13 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 (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-12384778-B2 Pyrazolopyridine compounds and uses thereof PDXK, PCK1, PGK1 ALDH1A1 2205/4885CES2 3190/4885CES1 1055/4885
US-20070197590-A1 SUBSTITUTED DIPIPERIDINE CCR2 ANTAGONISTS CCR2, CCR1, CCR5 ALDH1A1 905/4885CES2 2502/4885CES1 2047/4885

“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.