SCHEMBL12234047

SCHEMBL12234047

CC1(C)CCC[C@]2(C)[C@H]3Cc4cc(O)cc(O)c4[C@@]3(C)CC[C@@H]12

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 2/20 0.55
ENTPD5 O75356 1/20 0.54
CYP19A1 P11511 2/20 0.48
TRPV1 Q8NER1 1/20 0.42
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
IDO1 P14902 3/20 0.40
PTPN1 P18031 2/20 0.38
ALOX15 P16050 1/20 0.38
ALOX12 P18054 1/20 0.38
HIF1A Q16665 1/20 0.38
EPAS1 Q99814 1/20 0.38
PIK3CA P42336 5/20 0.37
PIK3CG P48736 5/20 0.37
MAPKAPK2 P49137 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
SCHEMBL12234043 1.00 PIK3CB (0.55) PIK3CBENTPD5CYP19A1TRPV1ALDH1A1
SCHEMBL23995072 1.00 PIK3CB (0.55) PIK3CBENTPD5CYP19A1TRPV1ALDH1A1
SCHEMBL12234050 1.00 PIK3CB (0.55) PIK3CBENTPD5CYP19A1TRPV1ALDH1A1
SCHEMBL12234049 1.00 PIK3CB (0.55) PIK3CBENTPD5CYP19A1TRPV1ALDH1A1
SCHEMBL12234040 0.88 ENTPD5 (0.53) PIK3CBENTPD5CYP19A1TRPV1ALDH1A1
SCHEMBL12234310 0.88 ENTPD5 (0.53) PIK3CBENTPD5CYP19A1TRPV1ALDH1A1
SCHEMBL14373570 0.88 PIK3CB (0.54) PIK3CBENTPD5CYP19A1TRPV1ALDH1A1
SCHEMBL12234302 0.88 ENTPD5 (0.53) PIK3CBENTPD5CYP19A1TRPV1ALDH1A1
SCHEMBL14373501 0.88 PIK3CB (0.54) PIK3CBENTPD5CYP19A1TRPV1ALDH1A1
SCHEMBL12234029 0.88 ENTPD5 (0.53) PIK3CBENTPD5CYP19A1TRPV1ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 (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-20110263539-A1 SHIP 1 MODULATOR COMPOUNDS PPM1F, PPM1D, PPP1R1B PIK3CB 87/4885ENTPD5 470/4885CYP19A1 2683/4885

“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.