SCHEMBL1275899

SCHEMBL1275899

Nc1cc(OC(F)(F)F)ccc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 5/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
GMNN O75496 1/20 0.45
USP2 O75604 1/20 0.45
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
GAA P10253 1/20 0.45
CYP2C9 P11712 1/20 0.45
PKM P14618 1/20 0.45
ALOX15 P16050 1/20 0.45
NFKB1 P19838 1/20 0.45
SLC6A2 P23975 1/20 0.45
SCN4A P35499 1/20 0.45
BLM P54132 1/20 0.45
PMP22 Q01453 1/20 0.45
SLC6A3 Q01959 1/20 0.45

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
SCHEMBL30459994 1.00 GPR3 (0.46) GPR3NPC1RAB9AGMNNUSP2
SCHEMBL24750258 0.89 NR4A1 (0.45) GPR3NPC1RAB9AGMNNUSP2
SCHEMBL30768354 0.89 NR4A1 (0.45) GPR3NPC1RAB9AGMNNUSP2
SCHEMBL519232 0.83 ALDH1A1 (0.46) GPR3NPC1RAB9AGMNNUSP2
SCHEMBL29546263 0.83 NR4A1 (0.56) GPR3NPC1RAB9AGMNNUSP2
SCHEMBL442684 0.83 NR4A1 (0.56) GPR3NPC1RAB9AGMNNUSP2
SCHEMBL10582819 0.82 CETP (0.37) GPR3SCN9AHSD17B10ALOX5APFEN1
SCHEMBL30695891 0.82 KIF11 (0.39) GPR3NPC1RAB9ALMNATP53
Hydrochloric Acid SCHEMBL9526864 0.81 NR4A1 (0.54) GPR3NPC1RAB9AGMNNUSP2
SCHEMBL10586066 0.78 LMNA (0.41) GPR3LMNAHSD17B10ALOX5APFEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12344571-B1 Organic color center-tailored, semiconducting carbon nanotubes and their method of manufacture UNIVERSITY OF MARYLAND, COLLEGE PARK (US) 2025-07-01 US claimed
EP-0315862-B1 Aromatically fluorinated fluoromethoxy- and fluoromethylthio-amino benzenes and their preparation BAYER AG (DE) 1994-04-13 EP claimed
US-12428411-B2 Preparation of oxindole derivatives as novel diacylglyceride o-acyltransferase 2 inhibitors MERCK SHARP & DOHME LLC (US) 2025-09-30 US disclosed
US-12391663-B2 Isoindolinone compounds MONTE ROSA THERAPEUTICS AG (CH) 2025-08-19 US disclosed
EP-4554935-A1 METHODS OF PREPARING AN ISOINDOLINONE DERIVATIVE AND CRYSTAL FORMS THEREOF Monte Rosa Therapeutics AG (CH) 2025-05-21 EP disclosed
WO-2025054339-A1 TRIAZOLOPYRIDINE COMPOUNDS AS INHIBITORS OF KIT ARCUS BIOSCIENCES, INC. (US) 2025-03-13 WO disclosed
WO-2025026218-A1 ARYLAMINE COMPOUND HAVING PROTEIN DEGRADATION EFFECT 杭州中美华东制药有限公司 2025-02-06 WO disclosed
WO-2025016457-A1 NEW SUBSTITUTED HETEROCYCLIC COMPOUND AS GSPTS/MYC SIGNAL FLUX REGULATOR 杭州德睿智药科技有限公司 2025-01-23 WO disclosed
WO-2024222614-A1 HETEROCYCLIC GSPT1 DEGRADATION AGENT 北京诺诚健华医药科技有限公司 2024-10-31 WO disclosed
US-20240327391-A1 PREPARATION OF OXINDOLE DERIVATIVES AS NOVEL DIACYLGLYCERIDE O-ACYLTRANSFERASE 2 INHIBITORS MERCK SHARP & DOHME LLC (US) 2024-10-03 US disclosed
US-20240294495-A1 COMPOUNDS THAT MEDIATE PROTEIN DEGRADATION AND METHODS OF USE THEREOF MONTE ROSA THERAPEUTICS AG (CH) 2024-09-05 US disclosed
US-20040214817-A1 Diaminotriazoles useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2004-10-28 US disclosed
WO-2004046120-A2 DIAMINOTRIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2004-06-03 WO disclosed
WO-2000011954-A1 HERBICIDAL METHOD AVENTIS CROPSCIENCE S.A. (FR) 2000-03-09 WO disclosed
EP-0315862-B1 Aromatically fluorinated fluoromethoxy- and fluoromethylthio-amino benzenes and their preparation BAYER AG (DE) 1994-04-13 EP disclosed
EP-0318704-B1 3-CYANO-4-PHENYL-PYRROLE DERIVATIVES BAYER AG (DE) 1992-12-02 EP disclosed
US-5015757-A Fungicides BAYER AKTIENGESELLSCHAFT (DE) 1991-05-14 US disclosed
US-4960789-A FUNGICIDES BAYER AKTIENGESELLSCHAFT (DE) 1990-10-02 US disclosed
EP-0318704-A2 3-Cyano-4-phenyl-pyrrole derivatives BAYER AG (DE) 1989-06-07 EP disclosed
EP-0315862-A2 Aromatically fluorinated fluoromethoxy- and fluoromethylthio-amino benzenes and their preparation BAYER AG (DE) 1989-05-17 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 (6 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-20240327391-A1 PREPARATION OF OXINDOLE DERIVATIVES AS NOVEL DIACYLGLYCERIDE O-ACYLTRANSFERASE 2 INHIBITORS DGAT2, DGAT1, MOGAT2 GPR3 1356/4885NPC1 159/4885RAB9A 3183/4885
US-12391663-B2 Isoindolinone compounds CYP4F2, AOC2, AOC3 GPR3 957/4885NPC1 285/4885RAB9A 3175/4885
US-20240294495-A1 COMPOUNDS THAT MEDIATE PROTEIN DEGRADATION AND METHODS OF USE THEREOF CRBN, GSPT1, GSPT2 GPR3 1739/4885NPC1 2483/4885RAB9A 2344/4885
US-12428411-B2 Preparation of oxindole derivatives as novel diacylglyceride o-acyltransferase 2 inhibitors DGAT2, DGAT1, MOGAT2 GPR3 1356/4885NPC1 159/4885RAB9A 3183/4885
US-20040214817-A1 Diaminotriazoles useful as inhibitors of protein kinases MAP3K20, MAP3K1, MAP3K5 GPR3 1852/4885NPC1 2770/4885RAB9A 3309/4885
US-12344571-B1 Organic color center-tailored, semiconducting carbon nanotubes and their method of manufacture NOS1, NOS3, NOS2 GPR3 3747/4885NPC1 1196/4885RAB9A 2192/4885

“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.