SCHEMBL6789232

SCHEMBL6789232

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.47
ALDH1A1 P00352 3/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2C9 P11712 2/20 0.46
TSHR P16473 2/20 0.46
CYP2C19 P33261 2/20 0.46
MEN1 O00255 1/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.46
TRPV1 Q8NER1 1/20 0.43
TRPA1 O75762 3/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA4 P43681 1/20 0.40
PTPN1 P18031 3/20 0.39
PTPN2 P17706 2/20 0.39
PNLIP P16233 2/20 0.37
TRPM2 O94759 1/20 0.37
PLA2G2A P14555 1/20 0.37

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
SCHEMBL13923433 1.00 IDO1 (0.47) IDO1ALDH1A1CYP3A4CYP2C9TSHR
SCHEMBL15886592 1.00 IDO1 (0.47) IDO1ALDH1A1CYP3A4CYP2C9TSHR
SCHEMBL9880750 1.00 IDO1 (0.47) IDO1ALDH1A1CYP3A4CYP2C9TSHR
8-Hydroxy-15,16-Bisnor-11-Labden-13-One SCHEMBL20640825 0.80 PTPN2 (0.55) IDO1ALDH1A1CYP3A4CYP2C9TSHR
SCHEMBL13206597 0.76 ALDH1A1 (0.55) IDO1ALDH1A1CYP3A4CYP2C9TSHR
SCHEMBL6787164 0.76 IDO1 (0.41) IDO1ALDH1A1CYP3A4CYP2C9TSHR
SCHEMBL12794155 0.76 ALDH1A1 (0.55) IDO1ALDH1A1CYP3A4CYP2C9TSHR
SCHEMBL4400746 0.76 PTGS2 (0.38) IDO1TRPA1CHRNB2CHRNB4CHRNA3
SCHEMBL13246091 0.75 ALDH1A1 (0.47) IDO1ALDH1A1CYP3A4CYP2C9TSHR
SCHEMBL13206590 0.75 ALDH1A1 (0.47) IDO1ALDH1A1CYP3A4CYP2C9TSHR

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 36 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-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-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-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-20140135404-A1 SESQUITERPENES FOR ANTIFUNGAL APPLICATIONS KANSAS STATE UNIVERSITY RESEARCH FOUNDATION (US) 2014-05-15 US disclosed
US-20140135404-A1 SESQUITERPENES FOR ANTIFUNGAL APPLICATIONS KANSAS STATE UNIVERSITY RESEARCH FOUNDATION (US) 2014-05-15 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-7488854-B2 (11E,13E)-labda-11,13-diene-8'',15-diol abdan-type diterpene derivatives; plants protection from various stresses, such as injury, insect pests, disease, and hypersensitivity cell death THE NATIONAL INSTITUTE OF AGROBIOLOGICAL SCIENCES (JP) 2009-02-10 US disclosed
US-7488854-B2 (11E,13E)-labda-11,13-diene-8'',15-diol abdan-type diterpene derivatives; plants protection from various stresses, such as injury, insect pests, disease, and hypersensitivity cell death THE NATIONAL INSTITUTE OF AGROBIOLOGICAL SCIENCES (JP) 2009-02-10 US disclosed
WO-2007147252-A1 SHIP 1 MODULATOR PRODRUGS THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2007-12-27 WO disclosed
US-6727277-B1 BENZO(A)XANTHENE DERIVATIVES; LYMPHATIC ABSORPTION INTENSIFIERS 3-HYDROXY-3-METHYLGLUTARYL COENZYME A REDUCTASE INHIBITORS KANSAS STATE UNIVERSITY RESEARCH FOUNDATION 2004-04-27 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-20100323990-A1 SHIP 1 MODULATOR PRODRUGS PPM1D, PPM1G, PPM1F IDO1 248/4885ALDH1A1 598/4885CYP3A4 2191/4885
US-10272081-B2 SHIP1 modulators and methods related thereto PPP1R1B, PPM1A, PPM1D IDO1 2540/4885ALDH1A1 1497/4885CYP3A4 4531/4885
US-20110263539-A1 SHIP 1 MODULATOR COMPOUNDS PPM1F, PPM1D, PPP1R1B IDO1 800/4885ALDH1A1 980/4885CYP3A4 4184/4885
US-20180360828-A9 SHIP1 MODULATORS AND METHODS RELATED THERETO PPP1R1B, PPM1A, PPM1D IDO1 2540/4885ALDH1A1 1497/4885CYP3A4 4531/4885
US-20170224682-A1 SHIP1 MODULATORS AND METHODS RELATED THERETO PPP1R1B, PPM1A, PPM1D IDO1 2540/4885ALDH1A1 1497/4885CYP3A4 4531/4885
US-20180161324-A1 SHIP1 MODULATORS AND METHODS RELATED THERETO PPP1R1B, PPM1A, PPM1D IDO1 2540/4885ALDH1A1 1497/4885CYP3A4 4531/4885
US-20140135404-A1 SESQUITERPENES FOR ANTIFUNGAL APPLICATIONS DPM1, ERG28, MDN1 IDO1 1838/4885ALDH1A1 250/4885CYP3A4 1428/4885

“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.