SCHEMBL9880783

SCHEMBL9880783

COc1cc(C(C)=O)c2c(c1OC)CC[C@H]1[C@@]2(C)CCC2C(C)(C)CCC[C@@]21C

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 1/20 0.48
PIK3CA P42336 4/20 0.43
PIK3CG P48736 4/20 0.43
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
CETP P11597 3/20 0.37
ALOX15 P16050 2/20 0.36
ALOX12 P18054 2/20 0.36
PTPN2 P17706 1/20 0.36
PTPN1 P18031 1/20 0.36
PLA2G2A P14555 2/20 0.35
LTB4R Q15722 1/20 0.35
TRPM2 O94759 1/20 0.35
NR1H4 Q96RI1 2/20 0.34
GGPS1 O95749 1/20 0.34
FDPS P14324 1/20 0.34
CYP19A1 P11511 1/20 0.33
POLA1 P09884 1/20 0.33

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
SCHEMBL9880781 0.92 PIK3CB (0.58) PIK3CBPIK3CAPIK3CGTP53CYP3A4
SCHEMBL9883109 0.91 PIK3CB (0.56) PIK3CBPIK3CAPIK3CGTP53CYP3A4
SCHEMBL9880782 0.86 PIK3CA (0.46) PIK3CBPIK3CAPIK3CGTP53CYP3A4
SCHEMBL9880779 0.84 PIK3CA (0.45) PIK3CBPIK3CAPIK3CGTP53CYP3A4
SCHEMBL9880744 0.84 PIK3CA (0.45) PIK3CBPIK3CAPIK3CGTP53CYP3A4
SCHEMBL14196107 0.83 PIK3CA (0.43) PIK3CBPIK3CAPIK3CGTP53CYP3A4
SCHEMBL9883107 0.82 PIK3CB (0.67) PIK3CBPIK3CAPIK3CGCYP3A4CETP
SCHEMBL9880768 0.82 PIK3CB (0.56) PIK3CBPIK3CAPIK3CGTP53CYP3A4
SCHEMBL15849820 0.82 PIK3CB (0.55) PIK3CBPIK3CAPIK3CGCYP3A4CETP
SCHEMBL9883110 0.77 PIK3CB (0.51) PIK3CBPIK3CAPIK3CGCYP3A4CETP

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 6 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-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-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
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 PIK3CB 215/4885PIK3CA 200/4885PIK3CG 441/4885
US-20120129925-A1 SHIP 1 MODULATORS PPP1R10, SACM1L, PPP1R1B PIK3CB 62/4885PIK3CA 131/4885PIK3CG 125/4885

“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.