SCHEMBL9880758

SCHEMBL9880758

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

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.63
ALDH1A1 P00352 3/20 0.48
CYP3A4 P08684 2/20 0.48
CYP2C9 P11712 2/20 0.48
TSHR P16473 2/20 0.48
CYP2C19 P33261 2/20 0.48
MEN1 O00255 1/20 0.48
MAPT P10636 1/20 0.48
KMT2A Q03164 1/20 0.48
PTPN1 P18031 2/20 0.41
HIF1A Q16665 1/20 0.40
EPAS1 Q99814 1/20 0.40
MAPKAPK2 P49137 1/20 0.37
CYP19A1 P11511 1/20 0.35
ENTPD5 O75356 1/20 0.34
DHODH Q02127 1/20 0.34
TRPA1 O75762 2/20 0.33
PIK3CB P42338 1/20 0.33
PLA2G2A P14555 1/20 0.33
NR1H4 Q96RI1 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 1.00 TRPV1 (0.63) TRPV1ALDH1A1CYP3A4CYP2C9TSHR
SCHEMBL9880762 0.89 TRPV1 (0.54) TRPV1ALDH1A1CYP3A4CYP2C9TSHR
SCHEMBL9880771 0.89 TRPV1 (0.69) TRPV1ALDH1A1CYP3A4CYP2C9TSHR
SCHEMBL9880770 0.86 TRPV1 (0.58) TRPV1ALDH1A1CYP3A4CYP2C9TSHR
SCHEMBL9880761 0.80 TRPV1 (0.52) TRPV1ALDH1A1CYP3A4CYP2C9TSHR
SCHEMBL9880759 0.80 TRPV1 (0.52) TRPV1ALDH1A1CYP3A4CYP2C9TSHR
Albaconol SCHEMBL29452848 0.78 TRPV1 (1.00) TRPV1ALDH1A1CYP3A4CYP2C9TSHR
SCHEMBL29936505 0.77 TRPV1 (0.77) TRPV1ALDH1A1CYP3A4CYP2C9TSHR
SCHEMBL14196119 0.76 TRPV1 (0.61) TRPV1ALDH1A1CYP3A4CYP2C9TSHR
SCHEMBL15874266 0.74 TRPV1 (0.59) 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 3 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-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 (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-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.