SCHEMBL9845641

SCHEMBL9845641

N#Cc1ccc(Cl)c(F)c1F

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 2/20 0.43
CYP11B2 P19099 5/20 0.41
EGLN2 Q96KS0 3/20 0.39
VCAM1 P19320 1/20 0.37
AR P10275 5/20 0.37
CYP11B1 P15538 2/20 0.36
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
HPGD P15428 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
KHK P50053 1/20 0.34
DYRK1A Q13627 1/20 0.33

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
SCHEMBL6651902 0.84 TRPV4 (0.48) TRPV4CYP11B2EGLN2ARCYP11B1
SCHEMBL31542127 0.84 TRPV4 (0.42) TRPV4CYP11B2VCAM1ARCYP11B1
SCHEMBL8664256 0.84 TRPV4 (0.42) TRPV4CYP11B2VCAM1ARCYP11B1
SCHEMBL8859185 0.84 TRPV4 (0.42) TRPV4CYP11B2EGLN2VCAM1AR
SCHEMBL29774747 0.84 TRPV4 (0.42) TRPV4CYP11B2EGLN2VCAM1AR
SCHEMBL29774748 0.82 TRPV4 (0.41) TRPV4CYP11B2EGLN2VCAM1AR
SCHEMBL25304895 0.80 TRPV4 (0.39) TRPV4CYP11B2VCAM1ARCYP11B1
SCHEMBL15594078 0.80 AR (0.41) TRPV4CYP11B2AR
SCHEMBL31171401 0.80 AR (0.41) TRPV4CYP11B2EGLN2AR
SCHEMBL24075906 0.80 AR (0.41) TRPV4CYP11B2EGLN2AR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11957049-B2 Organic molecules, in particular for use in optoelectronic devices SAMSUNG DISPLAY CO., LTD. (KR) 2024-04-09 US disclosed
US-20190006600-A1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2019-01-03 US 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

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-20190006600-A1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN OPTOELECTRONIC DEVICES OR10J3, ORC3, ORAI3 TRPV4 341/4885CYP11B2 1284/4885EGLN2 3421/4885
US-11957049-B2 Organic molecules, in particular for use in optoelectronic devices OR10J3, ORC3, ORAI3 TRPV4 324/4885CYP11B2 1592/4885EGLN2 3690/4885

“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.