SCHEMBL9946025

SCHEMBL9946025

CCCCOc1c(C(C)=O)cc(C)cc1C(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 9/20 0.47
PPARG P37231 5/20 0.47
RARG P13631 2/20 0.47
RXRB P28702 4/20 0.47
RXRG P48443 4/20 0.47
RARA P10276 3/20 0.47
RARB P10826 3/20 0.47
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
CCNT1 O60563 1/20 0.39
CCNB2 O95067 1/20 0.39
CCNE2 O96020 1/20 0.39
CDK1 P06493 1/20 0.39
CDK4 P11802 1/20 0.39
CCNB1 P14635 1/20 0.39
CCNA2 P20248 1/20 0.39
CCND1 P24385 1/20 0.39
CCNE1 P24864 1/20 0.39
CDK2 P24941 1/20 0.39
CCND2 P30279 1/20 0.39

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
SCHEMBL6917610 0.86 RXRA (0.61) RXRAPPARGRARGRXRBRXRG
SCHEMBL6908862 0.81 RXRA (0.56) RXRAPPARGRARGRXRBRXRG
SCHEMBL10268433 0.75 CYP3A4 (0.56) RXRAPPARGRARGRXRBRXRG
SCHEMBL4890126 0.72 GLRA1 (0.46) RXRAPPARGRARGRXRBRXRG
SCHEMBL27782409 0.72 ALOX15 (0.36) TSHRTHRATHRBALDH1A1LMNA
SCHEMBL9945914 0.71 SMN1; SMN2 (0.38) ABCB1SMN1; SMN2LMNA
SCHEMBL4892271 0.71 THRB (0.64) RXRAPPARGRARGRXRBRXRG
SCHEMBL13640224 0.70 GAA (0.46) ALDH1A1LMNA
SCHEMBL6707124 0.69 RXRA (0.68) RXRAPPARGRARGRXRBRXRG
SCHEMBL4587122 0.69 RXRA (0.51) RXRAPPARGRARGRXRBRXRG

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-20120149693-A1 THERAPEUTIC COMPOUNDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2012-06-14 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-20120149693-A1 THERAPEUTIC COMPOUNDS HTR2C, GRK2, GRK3 RXRA 1479/4885PPARG 1508/4885RARG 2239/4885

“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.