SCHEMBL10101191

SCHEMBL10101191

CC1(C)CCC[C@]2(C)C(CO)[C@](C)(O)CC[C@@H]12

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.57
CYP3A4 P08684 2/20 0.57
CYP2C9 P11712 2/20 0.57
TSHR P16473 2/20 0.57
CYP2C19 P33261 2/20 0.57
TRPV1 Q8NER1 1/20 0.57
MEN1 O00255 1/20 0.57
MAPT P10636 1/20 0.57
KMT2A Q03164 1/20 0.57
UGT2B7 P16662 5/20 0.41
PLA2G2A P14555 1/20 0.40
TRPA1 O75762 1/20 0.40
PTPN1 P18031 3/20 0.37
IDO1 P14902 1/20 0.36
CYP19A1 P11511 1/20 0.35
PTPN2 P17706 1/20 0.34
HSD11B1 P28845 1/20 0.34
ENTPD5 O75356 1/20 0.34

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
SCHEMBL385019 1.00 ALDH1A1 (0.57) ALDH1A1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL9880760 1.00 ALDH1A1 (0.57) ALDH1A1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL15886578 1.00 ALDH1A1 (0.57) ALDH1A1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL9880617 0.87 ALDH1A1 (0.61) ALDH1A1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL31139943 0.87 ALDH1A1 (0.61) ALDH1A1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL8611875 0.87 ALDH1A1 (0.61) ALDH1A1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL3112008 0.87 ALDH1A1 (0.61) ALDH1A1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL1105231 0.87 ALDH1A1 (0.61) ALDH1A1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL3112011 0.87 ALDH1A1 (0.61) ALDH1A1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL12062578 0.86 ALDH1A1 (0.57) ALDH1A1CYP3A4CYP2C9TSHRCYP2C19

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 ALDH1A1 1441/4885CYP3A4 4358/4885CYP2C9 4624/4885

“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.