SCHEMBL9880779

SCHEMBL9880779

COc1cc(C)c2c(c1OC)CCC1[C@@]3(C)CCCC(C)(C)C3CC[C@@]21C

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 2/20 0.45
PIK3CG P48736 2/20 0.45
CETP P11597 4/20 0.40
PIK3CB P42338 1/20 0.40
ALOX15 P16050 2/20 0.37
ALOX12 P18054 2/20 0.37
TRPV1 Q8NER1 1/20 0.35
CYP19A1 P11511 2/20 0.35
CYP3A4 P08684 2/20 0.34
TP53 P04637 1/20 0.34
LTB4R Q15722 1/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33
MAPT P10636 1/20 0.33
KIF11 P52732 1/20 0.32
ENTPD5 O75356 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
SCHEMBL9880744 1.00 PIK3CA (0.45) PIK3CAPIK3CGCETPPIK3CBALOX15
SCHEMBL9883108 0.90 PIK3CB (0.47) PIK3CAPIK3CGCETPPIK3CBALOX15
SCHEMBL9880782 0.87 PIK3CA (0.46) PIK3CAPIK3CGCETPPIK3CBALOX15
SCHEMBL14196107 0.86 PIK3CA (0.43) PIK3CAPIK3CGCETPPIK3CBALOX15
SCHEMBL9880781 0.84 PIK3CB (0.58) PIK3CAPIK3CGCETPPIK3CBALOX15
SCHEMBL9880783 0.84 PIK3CB (0.48) PIK3CAPIK3CGCETPPIK3CBALOX15
SCHEMBL9880749 0.81 PIK3CB (0.48) PIK3CAPIK3CGCETPPIK3CBALOX15
SCHEMBL12234384 0.80 PIK3CB (0.57) PIK3CAPIK3CGCETPPIK3CBALOX15
SCHEMBL12234066 0.77 PIK3CB (0.54) PIK3CAPIK3CGCETPPIK3CBALOX15
SCHEMBL12234065 0.77 PIK3CB (0.54) PIK3CAPIK3CGCETPPIK3CBALOX15

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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20120129925-A1 SHIP 1 MODULATORS PPP1R10, SACM1L, PPP1R1B PIK3CA 131/4885PIK3CG 125/4885CETP 235/4885

“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.