SCHEMBL386922

SCHEMBL386922

CC(C)Oc1cc(OC[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@@]2(C)O)cc(OC(C)C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.50
ALDH1A1 P00352 4/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2C9 P11712 2/20 0.42
TSHR P16473 2/20 0.42
CYP2C19 P33261 2/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
RECQL P46063 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
RCE1 Q9Y256 1/20 0.38
GCK P35557 1/20 0.35
PTPN1 P18031 2/20 0.34
NFE2L2 Q16236 1/20 0.33
CYP19A1 P11511 1/20 0.33
NR1H4 Q96RI1 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
SCHEMBL15886603 1.00 TRPV1 (0.50) TRPV1ALDH1A1CYP3A4CYP2C9TSHR
SCHEMBL19214463 0.87 TRPV1 (0.53) TRPV1ALDH1A1CYP3A4CYP2C9TSHR
SCHEMBL15886532 0.87 TRPV1 (0.53) TRPV1ALDH1A1CYP3A4CYP2C9TSHR
SCHEMBL388599 0.87 TRPV1 (0.53) TRPV1ALDH1A1CYP3A4CYP2C9TSHR
SCHEMBL15874322 0.85 TRPV1 (0.56) TRPV1ALDH1A1CYP3A4CYP2C9TSHR
SCHEMBL15874324 0.85 TRPV1 (0.56) TRPV1ALDH1A1CYP3A4CYP2C9TSHR
SCHEMBL10101192 0.83 TRPV1 (0.57) TRPV1ALDH1A1CYP3A4CYP2C9TSHR
SCHEMBL387845 0.83 TRPV1 (0.57) TRPV1ALDH1A1CYP3A4CYP2C9TSHR
SCHEMBL15874253 0.81 TRPV1 (0.47) TRPV1ALDH1A1CYP3A4CYP2C9TSHR
SCHEMBL389597 0.75 TRPV1 (0.47) TRPV1ALDH1A1CYP3A4CYP2C9TSHR

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 42 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10272081-B2 SHIP1 modulators and methods related thereto AQUINOX PHARMACEUTICALS (CANADA) INC. (CA) 2019-04-30 US claimed
US-20180360828-A9 SHIP1 MODULATORS AND METHODS RELATED THERETO NEOLEUKIN THERAPEUTICS, INC. 2018-12-20 US claimed
US-20180161324-A1 SHIP1 MODULATORS AND METHODS RELATED THERETO AQUINOX PHARMACEUTICALS CANADA INC (CA) 2018-06-14 US claimed
US-20170224682-A1 SHIP1 MODULATORS AND METHODS RELATED THERETO NEOLEUKIN THERAPEUTICS, INC. 2017-08-10 US claimed
US-9540353-B2 SHIP1 modulators and methods related thereto AQUINOX PHARMACEUTICALS (CANADA) INC. (CA) 2017-01-10 US claimed
US-20160257671-A2 SHIP1 MODULATORS AND METHODS RELATED THERETO NEOLEUKIN THERAPEUTICS, INC. 2016-09-08 US claimed
US-20150336935-A1 SHIP1 MODULATORS AND METHODS RELATED THERETO AQUINOX PHARMACEUTICALS CANADA INC (CA) 2015-11-26 US claimed
EP-2943470-A1 SHIP1 MODULATORS AND METHODS RELATED THERETO Aquinox Pharmaceuticals (Canada) Inc. (CA) 2015-11-18 EP claimed
WO-2014110036-A1 SHIP1 MODULATORS AND METHODS RELATED THERETO AQUINOX PHARMACEUTICALS INC. (CA) 2014-07-17 WO claimed
US-10272081-B2 SHIP1 modulators and methods related thereto AQUINOX PHARMACEUTICALS (CANADA) INC. (CA) 2019-04-30 US disclosed
US-10272081-B2 SHIP1 modulators and methods related thereto AQUINOX PHARMACEUTICALS (CANADA) INC. (CA) 2019-04-30 US disclosed
US-20180360828-A9 SHIP1 MODULATORS AND METHODS RELATED THERETO NEOLEUKIN THERAPEUTICS, INC. 2018-12-20 US disclosed
US-20180161324-A1 SHIP1 MODULATORS AND METHODS RELATED THERETO AQUINOX PHARMACEUTICALS CANADA INC (CA) 2018-06-14 US disclosed
US-20180161324-A1 SHIP1 MODULATORS AND METHODS RELATED THERETO AQUINOX PHARMACEUTICALS CANADA INC (CA) 2018-06-14 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
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
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 (7 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-10272081-B2 SHIP1 modulators and methods related thereto PPP1R1B, PPM1A, PPM1D TRPV1 3585/4885ALDH1A1 1497/4885CYP3A4 4531/4885
US-20150336935-A1 SHIP1 MODULATORS AND METHODS RELATED THERETO PPM1A, PPM1D, PPP1R1B TRPV1 3836/4885ALDH1A1 1351/4885CYP3A4 4581/4885
US-20110136802-A1 SHIP1 MODULATORS AND METHODS RELATED THERETO PPM1D, PTPRO, PPM1G TRPV1 3145/4885ALDH1A1 1441/4885CYP3A4 4358/4885
US-20180360828-A9 SHIP1 MODULATORS AND METHODS RELATED THERETO PPP1R1B, PPM1A, PPM1D TRPV1 3585/4885ALDH1A1 1497/4885CYP3A4 4531/4885
US-20170224682-A1 SHIP1 MODULATORS AND METHODS RELATED THERETO PPP1R1B, PPM1A, PPM1D TRPV1 3585/4885ALDH1A1 1497/4885CYP3A4 4531/4885
US-20160257671-A2 SHIP1 MODULATORS AND METHODS RELATED THERETO PPP1R1B, PPM1A, PPM1D TRPV1 3585/4885ALDH1A1 1497/4885CYP3A4 4531/4885
US-20180161324-A1 SHIP1 MODULATORS AND METHODS RELATED THERETO PPP1R1B, PPM1A, PPM1D TRPV1 3585/4885ALDH1A1 1497/4885CYP3A4 4531/4885

“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.