SCHEMBL9880751

SCHEMBL9880751

COc1cc2c(cc1OC)[C@]1(C)CCC3C(C)(C)CCC[C@]3(C)[C@H]1CC2

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLA1 P09884 8/20 0.51
CYP2C9 P11712 1/20 0.43
TSHR P16473 1/20 0.43
CYP2C19 P33261 1/20 0.43
CYP3A4 P08684 1/20 0.43
ALOX15 P16050 1/20 0.40
ALOX12 P18054 1/20 0.40
SOD1 P00441 1/20 0.39
PIK3CA P42336 2/20 0.39
PIK3CG P48736 2/20 0.39
NR1H2 P55055 1/20 0.38
NR1H3 Q13133 1/20 0.38
ENTPD5 O75356 1/20 0.37

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
SCHEMBL9880748 0.78 ALOX15 (0.37) POLA1CYP2C9TSHRCYP2C19CYP3A4
SCHEMBL17861419 0.78 POLA1 (0.49) POLA1CYP2C9TSHRCYP2C19CYP3A4
SCHEMBL29904963 0.76 POLA1 (0.54) POLA1CYP2C9TSHRCYP2C19CYP3A4
SCHEMBL806501 0.75 POLA1 (0.48) POLA1CYP2C9TSHRCYP2C19CYP3A4
SCHEMBL15978371 0.75 POLA1 (0.48) POLA1CYP2C9TSHRCYP2C19CYP3A4
SCHEMBL9880743 0.72 ALOX15 (0.40) POLA1CYP2C9TSHRCYP2C19CYP3A4
SCHEMBL14196117 0.72 ALOX15 (0.40) POLA1CYP2C9TSHRCYP2C19CYP3A4
SCHEMBL9880744 0.72 PIK3CA (0.45) CYP2C9TSHRCYP2C19CYP3A4ALOX15
SCHEMBL9880779 0.72 PIK3CA (0.45) CYP2C9TSHRCYP2C19CYP3A4ALOX15
SCHEMBL15978322 0.72 POLA1 (0.76) POLA1CYP2C9TSHRCYP2C19CYP3A4

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 POLA1 1218/4885CYP2C9 4641/4885TSHR 880/4885
US-20120129925-A1 SHIP 1 MODULATORS PPP1R10, SACM1L, PPP1R1B POLA1 2892/4885CYP2C9 3589/4885TSHR 3936/4885

“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.