SCHEMBL9880757

SCHEMBL9880757

CCc1cc(O)c(O)c2c1[C@]1(C)CCC3C(C)(C)CCC[C@]3(C)[C@H]1C2

nearest known ligand 0.72

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 2/20 0.72
IDO1 P14902 3/20 0.43
TRPV1 Q8NER1 2/20 0.41
PIK3CA P42336 4/20 0.41
PIK3CG P48736 4/20 0.41
ENTPD5 O75356 1/20 0.40
MAPKAPK2 P49137 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
TSHR P16473 1/20 0.40
CYP2C19 P33261 1/20 0.40
CYP19A1 P11511 1/20 0.37
KIF11 P52732 2/20 0.37
CETP P11597 2/20 0.37
LTB4R Q15722 1/20 0.36

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
Akaol SCHEMBL29849245 0.89 PIK3CB (0.64) PIK3CBIDO1TRPV1PIK3CAPIK3CG
SCHEMBL9880746 0.85 PIK3CB (0.71) PIK3CBIDO1TRPV1PIK3CAPIK3CG
SCHEMBL12234335 0.85 PIK3CB (0.71) PIK3CBIDO1TRPV1PIK3CAPIK3CG
SCHEMBL9880765 0.84 PIK3CB (1.00) PIK3CBIDO1TRPV1PIK3CAPIK3CG
Pelorol SCHEMBL9880767 0.81 PIK3CB (0.78) PIK3CBIDO1TRPV1PIK3CAPIK3CG
Pelorol SCHEMBL384771 0.81 PIK3CB (0.78) PIK3CBIDO1TRPV1PIK3CAPIK3CG
Pelorol SCHEMBL12234332 0.81 PIK3CB (0.78) PIK3CBIDO1TRPV1PIK3CAPIK3CG
Pelorol SCHEMBL12234334 0.81 PIK3CB (0.78) PIK3CBIDO1TRPV1PIK3CAPIK3CG
SCHEMBL9883110 0.81 PIK3CB (0.51) PIK3CBIDO1TRPV1PIK3CAPIK3CG
SCHEMBL9880756 0.81 PIK3CB (0.51) PIK3CBIDO1TRPV1PIK3CAPIK3CG

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 12 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-20110263539-A1 SHIP 1 MODULATOR COMPOUNDS THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2011-10-27 US disclosed
US-20110263539-A1 SHIP 1 MODULATOR COMPOUNDS THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2011-10-27 US disclosed
US-20100323990-A1 SHIP 1 MODULATOR PRODRUGS THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2010-12-23 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
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
WO-2007147252-A1 SHIP 1 MODULATOR PRODRUGS THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2007-12-27 WO disclosed
WO-2007147251-A1 SHIP 1 MODULATOR COMPOUNDS THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2007-12-27 WO 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 (4 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 PIK3CB 74/4885IDO1 248/4885TRPV1 1024/4885
US-20110263539-A1 SHIP 1 MODULATOR COMPOUNDS PPM1F, PPM1D, PPP1R1B PIK3CB 87/4885IDO1 800/4885TRPV1 2359/4885
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 PIK3CB 215/4885IDO1 996/4885TRPV1 958/4885
US-20120129925-A1 SHIP 1 MODULATORS PPP1R10, SACM1L, PPP1R1B PIK3CB 62/4885IDO1 3237/4885TRPV1 2062/4885

“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.