SCHEMBL18697015

SCHEMBL18697015

CCC1=C(C)/C(=C/c2ccc(C(C)C)cc2)c2ccc(F)cc21

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 10/20 0.74
PPARG P37231 8/20 0.58
CYP1A2 P05177 3/20 0.52
MAPT P10636 3/20 0.52
MAPK1 P28482 3/20 0.52
PTGS2 P35354 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
EGFR P00533 1/20 0.52
ADORA3 P0DMS8 1/20 0.52
DRD1 P21728 1/20 0.52
PTGS1 P23219 1/20 0.52
OPRM1 P35372 1/20 0.52
PSEN1 P49768 1/20 0.52
PSEN2 P49810 1/20 0.52
APH1B Q8WW43 1/20 0.52
NCSTN Q92542 1/20 0.52
APH1A Q96BI3 1/20 0.52
PSENEN Q9NZ42 1/20 0.52
CYSLTR1 Q9Y271 1/20 0.52
PTGDR2 Q9Y5Y4 1/20 0.52

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
SCHEMBL30389830 1.00 RXRA (0.74) RXRAPPARGCYP1A2MAPTMAPK1
SCHEMBL17119000 0.90 RXRA (0.76) RXRAPPARGCYP1A2MAPTMAPK1
SCHEMBL17119001 0.90 RXRA (0.80) RXRAPPARGCYP1A2MAPTMAPK1
SCHEMBL25306150 0.88 RXRA (0.76) RXRAPPARGCYP1A2MAPTMAPK1
SCHEMBL17118993 0.88 RXRA (0.76) RXRAPPARGCYP1A2MAPTMAPK1
SCHEMBL30390311 0.88 RXRA (0.76) RXRAPPARGCYP1A2MAPTMAPK1
SCHEMBL17119004 0.87 PPARG (0.64) RXRAPPARGCYP1A2MAPTMAPK1
SCHEMBL15684624 0.87 PPARG (0.64) RXRAPPARGCYP1A2MAPTMAPK1
SCHEMBL25427227 0.86 RXRA (0.74) RXRAPPARGCYP1A2MAPTMAPK1
SCHEMBL17118994 0.86 RXRA (0.74) RXRAPPARGCYP1A2MAPTMAPK1

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-20170313668-A1 METHODS AND COMPOSITIONS RELATED TO RETINOID RECEPTOR-SELECTIVE PATHWAY Sanford Burnham Prebys Medical Discovery Institute 2017-11-02 US disclosed
US-9611235-B2 Methods and compositions related to a retinoid receptor-selective pathway SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2017-04-04 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-20170313668-A1 METHODS AND COMPOSITIONS RELATED TO RETINOID RECEPTOR-SELECTIVE PATHWAY RXRG, RXRB, RXRA RXRA 3/4885PPARG 77/4885CYP1A2 3693/4885

“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.