SCHEMBL10101117

SCHEMBL10101117

COc1cc(C)c2c(c1)OC[C@@H]1[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@@]21C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 1/20 0.38
ALOX15 P16050 4/20 0.37
ALOX12 P18054 4/20 0.37
ENTPD5 O75356 1/20 0.37
ALDH1A1 P00352 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
TSHR P16473 1/20 0.36
CYP2C19 P33261 1/20 0.36
PIK3CA P42336 2/20 0.34
PIK3CG P48736 2/20 0.34
TRPV1 Q8NER1 1/20 0.34
NR1H4 Q96RI1 3/20 0.34
LTB4R Q15722 1/20 0.34
KIF11 P52732 2/20 0.33
ABCB1 P08183 2/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA7 P36544 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
SCHEMBL10101141 0.88 ALOX15 (0.41) PIK3CBALOX15ALOX12ENTPD5ALDH1A1
SCHEMBL10101143 0.87 PIK3CB (0.44) PIK3CBALOX15ALOX12ENTPD5ALDH1A1
SCHEMBL10101298 0.85 TRPV1 (0.41) PIK3CBALOX15ALOX12ENTPD5ALDH1A1
SCHEMBL10101119 0.83 ENTPD5 (0.46) PIK3CBALOX15ALOX12ENTPD5ALDH1A1
SCHEMBL12234287 0.81 PIK3CB (0.44) PIK3CBALOX15ALOX12ENTPD5ALDH1A1
SCHEMBL12234328 0.81 PIK3CB (0.44) PIK3CBALOX15ALOX12ENTPD5ALDH1A1
SCHEMBL12234303 0.81 PIK3CB (0.44) PIK3CBALOX15ALOX12ENTPD5ALDH1A1
SCHEMBL12234312 0.81 PIK3CB (0.44) PIK3CBALOX15ALOX12ENTPD5ALDH1A1
SCHEMBL10101139 0.78 PIK3CB (0.38) PIK3CBALOX15ALOX12ENTPD5ALDH1A1
SCHEMBL10101146 0.76 PIK3CB (0.36) PIK3CBALOX15ALOX12ENTPD5ALDH1A1

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-8101605-B2 SHIP1 modulators and methods related thereto AQUINOX PHARMACEUTICALS INC. (CA) 2012-01-24 US disclosed
US-8101605-B2 SHIP1 modulators and methods related thereto AQUINOX PHARMACEUTICALS INC. (CA) 2012-01-24 US disclosed
US-20110136802-A1 SHIP1 MODULATORS AND METHODS RELATED THERETO AQUINOX PHARMACEUTICALS INC. (CA) 2011-06-09 US disclosed
US-20110136802-A1 SHIP1 MODULATORS AND METHODS RELATED THERETO AQUINOX PHARMACEUTICALS INC. (CA) 2011-06-09 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-20110136802-A1 SHIP1 MODULATORS AND METHODS RELATED THERETO PPM1D, PTPRO, PPM1G PIK3CB 98/4885ALOX15 2729/4885ALOX12 2762/4885

“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.