SCHEMBL3336692

SCHEMBL3336692

N#Cc1cc(F)c(F)cc1Cl

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.51
KHK P50053 1/20 0.48
TRPV4 Q9HBA0 4/20 0.46
CYP11B2 P19099 5/20 0.42
PGK1 P00558 1/20 0.39
VCAM1 P19320 1/20 0.38
AR P10275 3/20 0.38
CYP11B1 P15538 2/20 0.37
FASN P49327 1/20 0.36
CYP2D6 P10635 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
NOS2 P35228 1/20 0.36
DYRK1A Q13627 1/20 0.34
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 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
SCHEMBL7575800 0.88 ALDH1A1 (0.50) ALDH1A1KHKTRPV4CYP11B2PGK1
SCHEMBL10947192 0.88 TRPV4 (0.56) ALDH1A1KHKTRPV4CYP11B2PGK1
SCHEMBL30110369 0.88 ALDH1A1 (0.50) ALDH1A1KHKTRPV4CYP11B2PGK1
SCHEMBL7931517 0.88 ALDH1A1 (0.46) ALDH1A1KHKTRPV4CYP11B2PGK1
SCHEMBL1880028 0.83 TRPV4 (0.56) ALDH1A1KHKTRPV4CYP11B2VCAM1
SCHEMBL31504178 0.83 TRPV4 (0.56) ALDH1A1KHKTRPV4CYP11B2VCAM1
SCHEMBL2474467 0.82 ALDH1A1 (0.46) ALDH1A1KHKTRPV4CYP11B2PGK1
SCHEMBL2476965 0.82 KHK (0.52) ALDH1A1KHKTRPV4CYP11B2PGK1
SCHEMBL2479059 0.82 ALDH1A1 (0.46) ALDH1A1KHKTRPV4CYP11B2PGK1
SCHEMBL3338849 0.82 ALDH1A1 (0.42) ALDH1A1KHKTRPV4CYP11B2PGK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0431373-B1 Processes for producing 5-fluorbenzoic acids and their intermediates ASAHI GLASS CO LTD (JP) 1996-04-10 EP claimed
EP-0497239-A1 2-Chloro-4,5-difluorobenzonitrile and process for preparation thereof HOECHST AKTIENGESELLSCHAFT (DE) 1992-08-05 EP claimed
EP-0431373-A2 Processes for producing 5-fluorbenzoic acids and their intermediates ASAHI GLASS COMPANY LTD. (JP) 1991-06-12 EP claimed
CN-1009920-B Halogenated benzoic acid derivatives and their preparation KYORIN SEIYAKU KK (JP) 1990-10-10 CN claimed
CN-87100373-A Halogenated benzoic acid derivative and preparation thereof 1987-08-19 CN claimed
JP-6016613-A None JP disclosed
US-20250100981-A1 Cis-substituted 5-(hydroxymethyl)morpholine-2-carboxamides as agonists of SSTR4 BOEHRINGER INGELHEIM INT (DE) 2025-03-27 US disclosed
WO-2025027049-A1 (2S,5R)-5-(HYDROXYMETHYL)MORPHOLINE-2-CARBOXAMIDES AS AGONISTS OF SSTR4 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2025-02-06 WO disclosed
US-11957049-B2 Organic molecules, in particular for use in optoelectronic devices SAMSUNG DISPLAY CO., LTD. (KR) 2024-04-09 US disclosed
CN-109563120-B alpha-D-galactoside inhibitors of galectins 格莱克特生物技术公司 2022-12-02 CN disclosed
US-10988502-B2 Alpha-D-galactoside inhibitors of galectins GALECTO BIOTECH AB (DK) 2021-04-27 US disclosed
US-20190225638-A1 ALPHA-D-GALACTOSIDE INHIBITORS OF GALECTINS GALECTO BIOTECH AB (DK) 2019-07-25 US disclosed
EP-0497239-A1 2-Chloro-4,5-difluorobenzonitrile and process for preparation thereof HOECHST AKTIENGESELLSCHAFT (DE) 1992-08-05 EP disclosed
EP-0433124-A1 2,4-Dichloro-5-fluorobenzonitrile and methods for its preparation, its use in the preparation of 2-chloro-4,5-difluorobenzoic acid and new method of preparation of this acid ISOCHEM (FR) 1991-06-19 EP disclosed
EP-0431373-A2 Processes for producing 5-fluorbenzoic acids and their intermediates ASAHI GLASS COMPANY LTD. (JP) 1991-06-12 EP disclosed
CN-1009920-B Halogenated benzoic acid derivatives and their preparation KYORIN SEIYAKU KK (JP) 1990-10-10 CN disclosed
CN-1008732-B Benzoyl acetate derivative and preparation method thereof KYORIN SEIYAKU KK (JP) 1990-07-11 CN disclosed
CN-87100382-A Benzoylacetic acid ester derivatives and preparation method thereof 1987-09-02 CN disclosed
CN-87100373-A Halogenated benzoic acid derivative and preparation thereof 1987-08-19 CN disclosed
CN-87100387-A Process for preparing quinolone carboxylic acid derivatives 1987-08-19 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 (4 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-11957049-B2 Organic molecules, in particular for use in optoelectronic devices OR10J3, ORC3, ORAI3 ALDH1A1 1636/4885KHK 3983/4885TRPV4 324/4885
US-20190225638-A1 ALPHA-D-GALACTOSIDE INHIBITORS OF GALECTINS LGALS1, LGALS2, LGALS3 ALDH1A1 561/4885KHK 3388/4885TRPV4 4227/4885
US-20250100981-A1 Cis-substituted 5-(hydroxymethyl)morpholine-2-carboxamides as agonists of SSTR4 SSTR4, SSTR5, SSTR2 ALDH1A1 4226/4885KHK 2501/4885TRPV4 250/4885
US-10988502-B2 Alpha-D-galactoside inhibitors of galectins LGALS1, LGALS2, LGALS3 ALDH1A1 561/4885KHK 3388/4885TRPV4 4227/4885

“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.