SCHEMBL10101145

SCHEMBL10101145

COc1cc(O)c2c(c1)[C@]1(C)CC[C@H]3C(C)(C)CCC[C@]3(C)[C@H]1CO2

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 3/20 0.40
ALOX12 P18054 3/20 0.40
ENTPD5 O75356 1/20 0.40
PIK3CB P42338 1/20 0.39
TRPV1 Q8NER1 1/20 0.37
CYP2C9 P11712 2/20 0.36
TSHR P16473 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP3A4 P08684 2/20 0.36
POLA1 P09884 4/20 0.36
ALDH1A1 P00352 1/20 0.35
NR1H4 Q96RI1 2/20 0.35
CETP P11597 1/20 0.35
HSP90AA1 P07900 1/20 0.33
RPS6KA5 O75582 1/20 0.33
MAPKAPK2 P49137 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CG P48736 1/20 0.33

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
SCHEMBL10101144 0.89 ENTPD5 (0.43) ALOX15ALOX12ENTPD5PIK3CBTRPV1
SCHEMBL10101142 0.88 ALOX15 (0.39) ALOX15ALOX12ENTPD5PIK3CBCYP2C9
SCHEMBL10101337 0.85 TRPV1 (0.49) ALOX15ALOX12ENTPD5PIK3CBTRPV1
SCHEMBL10101143 0.83 PIK3CB (0.44) ALOX15ALOX12ENTPD5PIK3CBTRPV1
SCHEMBL10101313 0.76 ALOX15 (0.41) ALOX15ALOX12ENTPD5PIK3CBTRPV1
SCHEMBL10101141 0.75 ALOX15 (0.41) ALOX15ALOX12ENTPD5PIK3CBTRPV1
SCHEMBL10101117 0.75 PIK3CB (0.38) ALOX15ALOX12ENTPD5PIK3CBTRPV1
SCHEMBL10101147 0.73 PIK3CB (0.47) ALOX15ALOX12ENTPD5PIK3CBTRPV1
SCHEMBL10101134 0.71 PIK3CB (0.43) ALOX15ALOX12ENTPD5PIK3CBTRPV1
SCHEMBL10101208 0.71 PIK3CB (0.43) ALOX15ALOX12ENTPD5PIK3CBTRPV1

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 5 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
WO-2011069118-A1 SHIP1 MODULATORS AND METHODS RELATED THERETO AQUINOX PHARMACEUTICALS INC. (CA) 2011-06-09 WO 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 ALOX15 2729/4885ALOX12 2762/4885ENTPD5 750/4885

“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.