SCHEMBL112134

SCHEMBL112134

Nc1ccccc1OC(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
ADRA2B P18089 1/20 0.50
PTGS1 P23219 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
KDM4E B2RXH2 1/20 0.48
MAPT P10636 1/20 0.48
CRHBP P24387 1/20 0.48
CRHR2 Q13324 1/20 0.48
CYP3A4 P08684 2/20 0.41
ALOX15 P16050 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP2C9 P11712 1/20 0.41
MPL P40238 1/20 0.40
GAA P10253 3/20 0.39
RCE1 Q9Y256 1/20 0.39
RXRA P19793 1/20 0.38

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
SCHEMBL29893374 1.00 ALDH1A1 (0.50) ALDH1A1ADRA2BPTGS1TDP1KDM4E
Hydrochloric Acid SCHEMBL27585317 0.98 ALDH1A1 (0.48) ALDH1A1ADRA2BPTGS1TDP1KDM4E
Hydrochloric Acid SCHEMBL4379610 0.98 ALDH1A1 (0.48) ALDH1A1ADRA2BPTGS1TDP1KDM4E
Aniline SCHEMBL22169117 0.92 TSHR (0.44) ALDH1A1ADRA2BPTGS1TDP1KDM4E
SCHEMBL398120 0.83 ALDH1A1 (0.52) ALDH1A1ADRA2BPTGS1TDP1KDM4E
SCHEMBL2848722 0.82 MPL (0.41) ALDH1A1ADRA2BPTGS1TDP1KDM4E
SCHEMBL15391806 0.82 ALDH1A1 (0.46) ALDH1A1ADRA2BPTGS1TDP1KDM4E
SCHEMBL2091208 0.82 ALDH1A1 (0.46) ALDH1A1ADRA2BPTGS1TDP1KDM4E
SCHEMBL29201487 0.82 ALDH1A1 (0.46) ALDH1A1ADRA2BPTGS1TDP1KDM4E
SCHEMBL4654446 0.82 RXRA (0.47) ALDH1A1KDM4EMAPTMPLGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12528777-B2 Quinazolinones derivatives for treatment of non-alcoholic fatty liver disease, preparation and use thereof COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2026-01-20 US claimed
CN-120064487-A Detection method of 4-trifluoromethoxy aniline related substances 石家庄四药有限公司 2025-05-30 CN claimed
CN-118772041-A Bisphenol compound with halogen-containing side groups, and preparation method and application thereof 中国科学院大连化学物理研究所 2024-10-15 CN claimed
CN-114324620-B Method for detecting p-trifluoromethoxy aniline and related impurities 鲁南制药集团股份有限公司 2024-10-11 CN claimed
CN-116162203-B High Tg cycloolefin copolymer and preparation method thereof 宁夏清研高分子新材料有限公司 2024-05-24 CN claimed
CN-117185967-A Preparation method of 2-trifluoromethoxybenzene sulfonamide 大连奇凯医药科技有限公司 2023-12-08 CN claimed
US-20230357165-A1 QUINAZOLINONES DERIVATIVES FOR TREATMENT OF NON-ALCOHOLIC FATTY LIVER DISEASE, PREPARATION AND USE THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2023-11-09 US claimed
EP-3612180-B1 SUBSTITUTED 2-ACYLAMINO-CYCLOALKYLTHIOPHENE-3-CARBOXYLIC ACID ARYLAMIDES AS INHIBITORS OF CALCIUM-ACTIVATED CHLORIDE CHANNEL TMEM16A UNIV CALIFORNIA (US) 2023-10-11 EP claimed
CN-116162203-A High Tg cycloolefin copolymer and preparation method thereof 宁夏清研高分子新材料有限公司 2023-05-26 CN claimed
EP-4171569-A1 QUINAZOLINONES DERIVATIVES FOR TREATMENT OF NON-ALCOHOLIC FATTY LIVER DISEASE, PREPARATION AND USE THEREOF Council of Scientific & Industrial Research (IN) 2023-05-03 EP claimed
WO-2002042303-A2 ACYL AND SULFONYL DERIVATIVES OF 6,9-DISUBSTITUTED 2-(TRANS-1,4-DIAMINOCYCLOHEXYL)-PURINES AND THEIR USE AS ANTIPROLIFERATIVE AGENTS AVENTIS PHARMACEUTICALS INC. (US) 2002-05-30 WO claimed
US-6365780-B1 DIAZOTIZATION OF AN ANILINE DIREVITIVE USING AN ALKYL NITRITE AND HYDROGEN CHLORIDE AND DECOMPOSITION OF THE DIAZONIUM SALT IN PRESENCE OF SULPHUR DIOXIDE, A SOLVENT AND COPPER CATALYST BAYER AKTIENGESELLSCHAFT (DE) 2002-04-02 US claimed
EP-0820981-B1 Process for the preparation of 2-trifluoromethoxy-aniline BAYER AG (DE) 2000-10-18 EP claimed
US-6121492-A Method for preparing 2-trifluoro-methoxy-aniline RHODIA CHIMIE (FR) 2000-09-19 US claimed
EP-0984920-A1 NOVEL METHOD FOR PREPARING 2-TRIFLUORO-METHOXY-ANILINE RHODIA CHIMIE (FR) 2000-03-15 EP claimed
EP-0983982-A1 Process for the preparation of aromatic or heteroaromatic sulfonyl chlorides Bayer Aktiengesellschaft (DE) 2000-03-08 EP claimed
WO-1998054121-A1 NOVEL METHOD FOR PREPARING 2-TRIFLUORO-METHOXY-ANILINE RHODIA-CHIMIE (FR) 1998-12-03 WO claimed
US-5840983-A Process for preparing 2-trifluoromethoxy-aniline BAYER AKTIENGESELLSCHAFT (DE) 1998-11-24 US claimed
EP-0820981-A1 Process for the preparation of 2-trifluoromethoxy-aniline BAYER AG (DE) 1998-01-28 EP claimed
EP-0546391-A2 Process for the preparation of fluorine containing anilines. BAYER AG (DE) 1993-06-16 EP claimed

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-20230357165-A1 QUINAZOLINONES DERIVATIVES FOR TREATMENT OF NON-ALCOHOLIC FATTY LIVER DISEASE, PREPARATION AND USE THEREOF ATG7, GOT1, LIPC ALDH1A1 295/4885ADRA2B 2560/4885PTGS1 2008/4885
US-12528777-B2 Quinazolinones derivatives for treatment of non-alcoholic fatty liver disease, preparation and use thereof ATG7, GOT1, ULK1 ALDH1A1 601/4885ADRA2B 2755/4885PTGS1 1813/4885

“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.