SCHEMBL9880760

SCHEMBL9880760

CC1(C)CCC[C@@]2(C)C1CC[C@@](C)(O)[C@@H]2CO

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
SCHEMBL10101191 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 26 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 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-9937167-B2 SHIP1 modulators and methods related thereto AQUINOX PHARMACEUTICALS (CANADA) INC. (CA) 2018-04-10 US disclosed
US-9937167-B2 SHIP1 modulators and methods related thereto AQUINOX PHARMACEUTICALS (CANADA) INC. (CA) 2018-04-10 US disclosed
US-20170224682-A1 SHIP1 MODULATORS AND METHODS RELATED THERETO NEOLEUKIN THERAPEUTICS, INC. 2017-08-10 US disclosed
US-20170224682-A1 SHIP1 MODULATORS AND METHODS RELATED THERETO NEOLEUKIN THERAPEUTICS, INC. 2017-08-10 US disclosed
US-9540353-B2 SHIP1 modulators and methods related thereto AQUINOX PHARMACEUTICALS (CANADA) INC. (CA) 2017-01-10 US disclosed
US-9540353-B2 SHIP1 modulators and methods related thereto AQUINOX PHARMACEUTICALS (CANADA) INC. (CA) 2017-01-10 US disclosed
US-20160257671-A2 SHIP1 MODULATORS AND METHODS RELATED THERETO NEOLEUKIN THERAPEUTICS, INC. 2016-09-08 US disclosed
US-20120129925-A1 SHIP 1 MODULATORS THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2012-05-24 US disclosed
US-20120129925-A1 SHIP 1 MODULATORS THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2012-05-24 US disclosed
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
US-20100323990-A1 SHIP 1 MODULATOR PRODRUGS THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2010-12-23 US disclosed
US-20100323990-A1 SHIP 1 MODULATOR PRODRUGS THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2010-12-23 US disclosed
US-20080090909-A1 negative regulator of cell growth factor receptor; pelorol (benzo(a)fluorene) related compounds from marine sponge species; antiinflammatory, antitumor agent, immunostimulant; control gene expression, differentiation, metabolism, phospholipid signaling pathway, signal tansduction THE UNIVERSITY OF BRITISH COLUMBIA 2008-04-17 US disclosed
US-20080090909-A1 negative regulator of cell growth factor receptor; pelorol (benzo(a)fluorene) related compounds from marine sponge species; antiinflammatory, antitumor agent, immunostimulant; control gene expression, differentiation, metabolism, phospholipid signaling pathway, signal tansduction THE UNIVERSITY OF BRITISH COLUMBIA 2008-04-17 US disclosed
WO-2007147252-A1 SHIP 1 MODULATOR PRODRUGS THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2007-12-27 WO 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 (8 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-20100323990-A1 SHIP 1 MODULATOR PRODRUGS PPM1D, PPM1G, PPM1F ALDH1A1 598/4885CYP3A4 2191/4885CYP2C9 1959/4885
US-10272081-B2 SHIP1 modulators and methods related thereto PPP1R1B, PPM1A, PPM1D ALDH1A1 1497/4885CYP3A4 4531/4885CYP2C9 4470/4885
US-20110263539-A1 SHIP 1 MODULATOR COMPOUNDS PPM1F, PPM1D, PPP1R1B ALDH1A1 980/4885CYP3A4 4184/4885CYP2C9 4067/4885
US-20080090909-A1 negative regulator of cell growth factor receptor; pelorol (benzo(a)fluorene) related compounds from marine sponge species; antiinflammatory, antitumor agent, immunostimulant; control gene expression, differentiation, metabolism, phospholipid signaling pathway, signal tansduction STAT1, STING1, IRF3 ALDH1A1 2237/4885CYP3A4 4744/4885CYP2C9 4641/4885
US-20170224682-A1 SHIP1 MODULATORS AND METHODS RELATED THERETO PPP1R1B, PPM1A, PPM1D ALDH1A1 1497/4885CYP3A4 4531/4885CYP2C9 4470/4885
US-20160257671-A2 SHIP1 MODULATORS AND METHODS RELATED THERETO PPP1R1B, PPM1A, PPM1D ALDH1A1 1497/4885CYP3A4 4531/4885CYP2C9 4470/4885
US-20180161324-A1 SHIP1 MODULATORS AND METHODS RELATED THERETO PPP1R1B, PPM1A, PPM1D ALDH1A1 1497/4885CYP3A4 4531/4885CYP2C9 4470/4885
US-20120129925-A1 SHIP 1 MODULATORS PPP1R10, SACM1L, PPP1R1B ALDH1A1 1182/4885CYP3A4 2887/4885CYP2C9 3589/4885

“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.