SCHEMBL15217697

SCHEMBL15217697

NCc1cc(CF)cc2c1cnn2C1CCCCO1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
RXRG P48443 1/20 0.43
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
CYP4F2 P78329 4/20 0.36
CYP4A11 Q02928 4/20 0.36
PDE1A P54750 3/20 0.32
PDE1B Q01064 3/20 0.32
PDE1C Q14123 3/20 0.32
PDE9A O76083 2/20 0.31

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
SCHEMBL14723512 0.83 RXRA (0.42) RXRARXRBRXRGALDH1A1LMNA
SCHEMBL14723281 0.83 RXRA (0.40) RXRARXRBRXRGALDH1A1LMNA
SCHEMBL14722690 0.81 RXRA (0.41) RXRARXRBRXRGALDH1A1LMNA
SCHEMBL3868044 0.80 RXRA (0.43) RXRARXRBRXRGALDH1A1LMNA
SCHEMBL27151032 0.76 RXRA (0.46) RXRARXRBRXRGALDH1A1LMNA
SCHEMBL17442631 0.75 RXRA (0.48) RXRARXRBRXRGALDH1A1LMNA
SCHEMBL7132596 0.75 RXRA (0.55) RXRARXRBRXRGALDH1A1LMNA
SCHEMBL28627588 0.74 RXRA (0.44) RXRARXRBRXRGALDH1A1LMNA
SCHEMBL30932767 0.73 RXRA (0.48) RXRARXRBRXRGALDH1A1LMNA
SCHEMBL3640296 0.72 RXRA (0.64) RXRARXRBRXRGALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8637537-B2 Serine/threonine kinase inhibitors GENENTECH, INC. (US) 2014-01-28 US disclosed
US-20130225620-A1 SERINE/THREONINE KINASE INHIBITORS GENENTECH, INC. (US) 2013-08-29 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-20130225620-A1 SERINE/THREONINE KINASE INHIBITORS PAK1, AKT1, RB1 RXRA 1879/4885RXRB 1556/4885RXRG 2253/4885

“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.