SCHEMBL18002151

SCHEMBL18002151

O=Cc1cc(F)cc(-c2cc(F)cc(C(F)(F)F)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 4/20 0.46
RXRB P28702 4/20 0.46
RXRG P48443 3/20 0.46
KIF11 P52732 1/20 0.38
PGR P06401 1/20 0.36
PTGS1 P23219 1/20 0.35
CYP17A1 P05093 2/20 0.34
CYP21A2 P08686 2/20 0.34
CYP11B1 P15538 2/20 0.34
CES2 O00748 1/20 0.31
RORC P51449 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2B Q13224 1/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HDAC3 O15379 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC6 Q9UBN7 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
SCHEMBL18002313 0.96 RXRA (0.46) RXRARXRBRXRGKIF11PGR
SCHEMBL18001735 0.96 RXRA (0.43) RXRARXRBRXRGKIF11PGR
SCHEMBL18002234 0.89 RXRA (0.41) RXRARXRBRXRGKIF11PGR
SCHEMBL17969141 0.89 RXRA (0.41) RXRARXRBRXRGKIF11PGR
SCHEMBL478113 0.88 KIF11 (0.38) RXRARXRBRXRGKIF11CES2
SCHEMBL30070463 0.88 KIF11 (0.38) RXRARXRBRXRGKIF11CES2
SCHEMBL28307877 0.86 KIF11 (0.37) RXRARXRBRXRGKIF11CES2
SCHEMBL18001905 0.86 RXRA (0.55) RXRARXRBRXRGKIF11PGR
SCHEMBL16398658 0.85 KIF11 (0.41) RXRARXRBRXRGKIF11PGR
SCHEMBL18001843 0.85 RXRA (0.44) RXRARXRBRXRGKIF11PGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4219477-A1 CYANOTRIAZOLE COMPOUNDS Otsuka Pharmaceutical Co., Ltd. (JP) 2023-08-02 EP disclosed
US-10626095-B2 Cyanotriazole compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2020-04-21 US disclosed
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2016-08-11 US disclosed
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2016-08-11 US 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-10626095-B2 Cyanotriazole compounds CS, PC, ACAT1 RXRA 3077/4885RXRB 2771/4885RXRG 3206/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 RXRA 3077/4885RXRB 2771/4885RXRG 3206/4885

“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.