SCHEMBL18255113

SCHEMBL18255113

CC1=C(CCc2nnn[nH]2)c2cc(C)ccc2/C1=C\c1ccc(C(C)C)cc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RXRA P19793 11/20 0.56
PPARG P37231 5/20 0.36
CSNK2A2 P19784 1/20 0.35
CSNK2B P67870 1/20 0.35
CSNK2A1 P68400 1/20 0.35
CSNK2A3 Q8NEV1 1/20 0.35
EGFR P00533 1/20 0.32
ERBB2 P04626 1/20 0.32
IGF1R P08069 1/20 0.32
PDGFRB P09619 1/20 0.32
GLB1 P16278 1/20 0.32
CTRC Q99895 1/20 0.32
SIRT2 Q8IXJ6 1/20 0.32
SIRT1 Q96EB6 1/20 0.32
SIRT5 Q9NXA8 1/20 0.32
HTR6 P50406 1/20 0.32

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
SCHEMBL18244654 0.90 RXRA (0.70) RXRAPPARGEGFR
SCHEMBL30389769 0.90 RXRA (0.70) RXRAPPARGEGFR
SCHEMBL12182065 0.90 RXRA (0.70) RXRAPPARGEGFR
SCHEMBL18245005 0.89 RXRA (0.67) RXRAPPARGCSNK2A2CSNK2BCSNK2A1
SCHEMBL30389738 0.89 RXRA (0.67) RXRAPPARGCSNK2A2CSNK2BCSNK2A1
SCHEMBL18245004 0.89 RXRA (0.67) RXRAPPARGCSNK2A2CSNK2BCSNK2A1
SCHEMBL24101806 0.83 RXRA (0.61) RXRAPPARGEGFRERBB2IGF1R
SCHEMBL30486797 0.83 RXRA (0.61) RXRAPPARGEGFRERBB2IGF1R
SCHEMBL8430717 0.80 RXRA (0.39) RXRAPPARGEGFR
SCHEMBL25306462 0.76 RXRA (0.51) RXRAPPARGHTR6

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-20160340324-A1 METHODS AND COMPOSITIONS FOR TREATING CANCER SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE 2016-11-24 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-20160340324-A1 METHODS AND COMPOSITIONS FOR TREATING CANCER RXRA, RXRG, RXRB RXRA 1/4885PPARG 8/4885CSNK2A2 1386/4885

“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.