SCHEMBL12234038

SCHEMBL12234038

CC1(C)CCC[C@@]2(C)[C@H]1CC[C@]1(C)c3ccc(O)cc3C[C@@H]21

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENTPD5 O75356 2/20 0.63
SOD1 P00441 1/20 0.47
PIK3CB P42338 1/20 0.46
PTPN1 P18031 3/20 0.45
HIF1A Q16665 2/20 0.45
EPAS1 Q99814 2/20 0.45
CETP P11597 1/20 0.44
NR1H2 P55055 3/20 0.41
NR1H3 Q13133 3/20 0.41
CYP3A4 P08684 2/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP2C9 P11712 1/20 0.40
TSHR P16473 1/20 0.40
CYP2C19 P33261 1/20 0.40
HSP90AA1 P07900 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL12234033 1.00 ENTPD5 (0.63) ENTPD5SOD1PIK3CBPTPN1HIF1A
SCHEMBL12234034 1.00 ENTPD5 (0.63) ENTPD5SOD1PIK3CBPTPN1HIF1A
SCHEMBL12234042 1.00 ENTPD5 (0.63) ENTPD5SOD1PIK3CBPTPN1HIF1A
SCHEMBL12234382 0.81 PIK3CB (0.48) ENTPD5PIK3CBCYP3A4ALDH1A1CYP2C9
SCHEMBL6282209 0.80 SOD1 (0.66) SOD1NR1H2NR1H3CYP3A4HSP90AA1
SCHEMBL23995462 0.80 ENTPD5 (0.41) ENTPD5SOD1PTPN1HIF1AEPAS1
SCHEMBL12234047 0.79 PIK3CB (0.55) ENTPD5PIK3CBPTPN1HIF1AEPAS1
SCHEMBL12234043 0.79 PIK3CB (0.55) ENTPD5PIK3CBPTPN1HIF1AEPAS1
SCHEMBL23995072 0.79 PIK3CB (0.55) ENTPD5PIK3CBPTPN1HIF1AEPAS1
SCHEMBL12234050 0.79 PIK3CB (0.55) ENTPD5PIK3CBPTPN1HIF1AEPAS1

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 ENTPD5 470/4885SOD1 4246/4885PIK3CB 87/4885

“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.