SCHEMBL5865611

SCHEMBL5865611

CN(C)c1cc2c(cc1B(O)O)C(C)(C)CCC2(C)C

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RXRA P19793 18/20 0.39
RXRB P28702 15/20 0.39
RXRG P48443 14/20 0.39
RARB P10826 4/20 0.33
RARG P13631 4/20 0.33
RARA P10276 3/20 0.31
PPARG P37231 1/20 0.31
NR1H3 Q13133 1/20 0.31
CYP26B1 Q9NR63 1/20 0.31
CYP26A1 O43174 1/20 0.30
CYP3A4 P08684 1/20 0.30
CRABP2 P29373 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
SCHEMBL31145666 0.76 RXRA (0.44) RXRARXRBRXRGRARBRARG
SCHEMBL5490132 0.75 RXRA (0.44) RXRARXRBRXRGRARBRARG
SCHEMBL31145759 0.73 RXRA (0.34) RXRARXRBRXRGRARBRARG
SCHEMBL5865371 0.73 RXRA (0.41) RXRARXRBRXRGRARBRARG
SCHEMBL14492578 0.70 RXRA (0.43) RXRARXRBRXRGRARBRARG
SCHEMBL5865615 0.68 RXRA (0.37) RXRARXRBRXRGPPARGNR1H3
SCHEMBL11599145 0.67 RXRA (0.42) RXRARXRBRXRGRARBRARG
SCHEMBL4859743 0.67 RXRA (0.51) RXRARXRBRXRGRARBRARG
SCHEMBL13989982 0.67 CHEK1 (0.41) RXRARXRBRXRGRARBRARG
SCHEMBL2012286 0.65 RXRA (0.45) RXRARXRBRXRGRARBRARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060160796-A1 N-substituted heterocycles for the treatment of hypercholesteremia, dyslipidemia and other metabolic disorders; cancer, and other diseases PFAHL MAGNUS 2006-07-20 US disclosed
US-7071218-B2 N-substituted heterocycles for the treatment of hypercholesteremia, dyslipidemia and other metabolic disorders; cancer, and other diseases INCYTE SAN DIEGO INCORPORATED (US) 2006-07-04 US disclosed
EP-1456187-A4 N-SUBSTITUTED HETEROCYCLES FOR THE TREATMENT OF HYPERCHOLESTEREMIA, DYSLIPIDEMIA AND OTHER METABOLIC DISORDERS, CANCER, AND OTHER DISEASES INCYTE SAN DIEGO INC (US) 2005-02-09 EP disclosed
EP-1456187-A1 N-SUBSTITUTED HETEROCYCLES FOR THE TREATMENT OF HYPERCHOLESTEREMIA, DYSLIPIDEMIA AND OTHER METABOLIC DISORDERS, CANCER, AND OTHER DISEASES Incyte San Diego Incorporated (US) 2004-09-15 EP disclosed
US-20030144329-A1 N-substituted heterocycles for the treatment of hypercholesteremia, dyslipidemia and other metabolic disorders; cancer, and other diseases ORTHO MCNEIL PHARMACEUTICAL INC. (US) 2003-07-31 US disclosed
WO-2003043998-A1 N-SUBSTITUTED HETEROCYCLES FOR THE TREATMENT OF HYPERCHOLESTEREMIA, DYSLIPIDEMIA AND OTHER METABOLIC DISORDERS, CANCER, AND OTHER DISEASES INCYTE SAN DIEGO INCORPORATED (US) 2003-05-30 WO 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-20030144329-A1 N-substituted heterocycles for the treatment of hypercholesteremia, dyslipidemia and other metabolic disorders; cancer, and other diseases CYP27A1, CYP46A1, PNLIP RXRA 817/4885RXRB 972/4885RXRG 728/4885
US-20060160796-A1 N-substituted heterocycles for the treatment of hypercholesteremia, dyslipidemia and other metabolic disorders; cancer, and other diseases CYP27A1, PC, PNLIP RXRA 778/4885RXRB 908/4885RXRG 660/4885

“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.