SCHEMBL9880759

SCHEMBL9880759

Cc1cc(C(=O)C[C@@H]2[C@@]3(C)CCCC(C)(C)C3CC[C@@]2(C)O)c(C)c(C)c1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.52
ALDH1A1 P00352 3/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2C9 P11712 2/20 0.44
TSHR P16473 2/20 0.44
CYP2C19 P33261 2/20 0.44
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
PIK3CB P42338 1/20 0.37
TRPA1 O75762 1/20 0.34
MAPKAPK2 P49137 1/20 0.34
IDO1 P14902 2/20 0.33
PTPN1 P18031 3/20 0.32
PTPN2 P17706 2/20 0.32
DHODH Q02127 1/20 0.32
PNLIP P16233 1/20 0.32
ENTPD5 O75356 1/20 0.32
HIF1A Q16665 1/20 0.32
EPAS1 Q99814 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
SCHEMBL12234280 0.80 TRPV1 (0.63) TRPV1ALDH1A1CYP3A4CYP2C9TSHR
SCHEMBL9880758 0.80 TRPV1 (0.63) TRPV1ALDH1A1CYP3A4CYP2C9TSHR
SCHEMBL9880762 0.77 TRPV1 (0.54) TRPV1ALDH1A1CYP3A4CYP2C9TSHR
SCHEMBL9880775 0.77 TRPV1 (0.52) TRPV1ALDH1A1CYP3A4CYP2C9TSHR
SCHEMBL15874157 0.76 TRPV1 (0.49) TRPV1ALDH1A1CYP3A4CYP2C9TSHR
SCHEMBL15874156 0.76 TRPV1 (0.49) TRPV1ALDH1A1CYP3A4CYP2C9TSHR
SCHEMBL9880761 0.76 TRPV1 (0.52) TRPV1ALDH1A1CYP3A4CYP2C9TSHR
SCHEMBL23868612 0.75 ALDH1A1 (0.52) TRPV1ALDH1A1CYP3A4CYP2C9TSHR
SCHEMBL2926420 0.75 ALDH1A1 (0.52) TRPV1ALDH1A1CYP3A4CYP2C9TSHR
SCHEMBL15494524 0.75 ALDH1A1 (0.52) TRPV1ALDH1A1CYP3A4CYP2C9TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8765994-B2 Ship 1 modulators THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2014-07-01 US disclosed
US-20120129925-A1 SHIP 1 MODULATORS THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2012-05-24 US disclosed
US-20100323990-A1 SHIP 1 MODULATOR PRODRUGS THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2010-12-23 US disclosed
US-20080090909-A1 negative regulator of cell growth factor receptor; pelorol (benzo(a)fluorene) related compounds from marine sponge species; antiinflammatory, antitumor agent, immunostimulant; control gene expression, differentiation, metabolism, phospholipid signaling pathway, signal tansduction THE UNIVERSITY OF BRITISH COLUMBIA 2008-04-17 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 (3 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-20100323990-A1 SHIP 1 MODULATOR PRODRUGS PPM1D, PPM1G, PPM1F TRPV1 1024/4885ALDH1A1 598/4885CYP3A4 2191/4885
US-20080090909-A1 negative regulator of cell growth factor receptor; pelorol (benzo(a)fluorene) related compounds from marine sponge species; antiinflammatory, antitumor agent, immunostimulant; control gene expression, differentiation, metabolism, phospholipid signaling pathway, signal tansduction STAT1, STING1, IRF3 TRPV1 958/4885ALDH1A1 2237/4885CYP3A4 4744/4885
US-20120129925-A1 SHIP 1 MODULATORS PPP1R10, SACM1L, PPP1R1B TRPV1 2062/4885ALDH1A1 1182/4885CYP3A4 2887/4885

“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.