SCHEMBL9883109

SCHEMBL9883109

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 1/20 0.56
PIK3CA P42336 2/20 0.40
PIK3CG P48736 2/20 0.40
LTB4R Q15722 1/20 0.39
KIF11 P52732 2/20 0.38
ALOX15 P16050 2/20 0.37
ALOX12 P18054 2/20 0.37
IDO1 P14902 3/20 0.36
PLA2G2A P14555 2/20 0.36
CYP3A4 P08684 2/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP2C9 P11712 1/20 0.36
TSHR P16473 1/20 0.36
CYP2C19 P33261 1/20 0.36
TRPM2 O94759 1/20 0.35
ENTPD5 O75356 1/20 0.34
TP53 P04637 1/20 0.34
NR1H4 Q96RI1 2/20 0.34
CETP P11597 1/20 0.34
TRPV1 Q8NER1 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
SCHEMBL9883107 0.92 PIK3CB (0.67) PIK3CBPIK3CAPIK3CGLTB4RKIF11
SCHEMBL15849820 0.91 PIK3CB (0.55) PIK3CBPIK3CAPIK3CGLTB4RKIF11
SCHEMBL9880783 0.91 PIK3CB (0.48) PIK3CBPIK3CAPIK3CGLTB4RALOX15
SCHEMBL9880768 0.90 PIK3CB (0.56) PIK3CBPIK3CAPIK3CGLTB4RKIF11
SCHEMBL9883110 0.86 PIK3CB (0.51) PIK3CBPIK3CAPIK3CGLTB4RKIF11
SCHEMBL9883108 0.84 PIK3CB (0.47) PIK3CBPIK3CAPIK3CGLTB4RKIF11
SCHEMBL9880781 0.82 PIK3CB (0.58) PIK3CBPIK3CAPIK3CGALOX15ALOX12
SCHEMBL9880764 0.81 PIK3CB (0.67) PIK3CBPIK3CAPIK3CGLTB4RKIF11
SCHEMBL9880782 0.77 PIK3CA (0.46) PIK3CBPIK3CAPIK3CGLTB4RALOX15
SCHEMBL12234066 0.76 PIK3CB (0.54) PIK3CBPIK3CAPIK3CGLTB4RKIF11

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-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.