SCHEMBL21100798

SCHEMBL21100798

Cc1cc(-c2ccc(CC#N)cc2)cc(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RXRA P19793 12/20 0.46
RXRG P48443 10/20 0.46
RXRB P28702 11/20 0.44
NAAA Q02083 1/20 0.43
AR P10275 1/20 0.38
KIF11 P52732 1/20 0.38
NOTUM Q6P988 1/20 0.37
MAOB P27338 1/20 0.36
IDH1 O75874 1/20 0.36
BACE1 P56817 1/20 0.36
BACE2 Q9Y5Z0 1/20 0.36

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
SCHEMBL7594667 0.89 RXRA (0.54) RXRARXRGRXRBNAAAKIF11
SCHEMBL17625196 0.84 MMP3 (0.43) RXRARXRB
SCHEMBL24211077 0.82 RXRA (0.50) RXRARXRGRXRBKIF11NOTUM
SCHEMBL24211025 0.82 RXRA (0.50) RXRARXRGRXRBKIF11NOTUM
SCHEMBL18051412 0.80 IDO1 (0.36) NOTUMIDH1
SCHEMBL2267261 0.80 KIF11 (0.57) RXRARXRGRXRBNAAAKIF11
SCHEMBL24518592 0.80 RXRA (0.48) RXRARXRGRXRBKIF11NOTUM
SCHEMBL13802327 0.80 KIF11 (0.62) RXRARXRGRXRBARKIF11
SCHEMBL13170619 0.78 RXRA (0.47) RXRARXRGRXRBARKIF11
SCHEMBL26375411 0.78 KIF11 (0.53) RXRARXRGRXRBKIF11NOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10329486-B2 Cyanostilbenes ROLIC AG (CH) 2019-06-25 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 (1 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-10329486-B2 Cyanostilbenes LATS1, LATS2, CRY1 RXRA 1412/4885RXRG 1754/4885RXRB 771/4885

“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.