SCHEMBL7583136

SCHEMBL7583136

CC1CCC2C(C)(C)CCCC2(C)C1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.36
ALDH1A1 P00352 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
TSHR P16473 1/20 0.30
CYP2C19 P33261 1/20 0.30
CYP19A1 P11511 1/20 0.30

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
SCHEMBL22504293 1.00 PTPN1 (0.36) PTPN1ALDH1A1CYP3A4CYP2C9TSHR
SCHEMBL11797090 0.78 PTPN1 (0.35) PTPN1ALDH1A1CYP3A4
SCHEMBL31410914 0.78 PTPN1 (0.35) PTPN1ALDH1A1CYP3A4
SCHEMBL9359780 0.78 PTPN1 (0.35) PTPN1
Methane SCHEMBL28757480 0.76 PTPN1 (0.34) PTPN1ALDH1A1CYP3A4
SCHEMBL27655563 0.73 IDO1 (0.46) PTPN1ALDH1A1CYP3A4CYP2C9TSHR
SCHEMBL9715210 0.73 GAA (0.36) PTPN1ALDH1A1CYP3A4CYP2C9TSHR
SCHEMBL15874145 0.72 APLNR (0.39) PTPN1TSHRCYP2C19
SCHEMBL22702733 0.72 PTPN1 (0.32) PTPN1
SCHEMBL31410915 0.70 IDO1 (0.32) PTPN1

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 13 patents. 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-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
CN-108137461-A Method for purifying cyclohexadec-8-en-1-one 巴斯夫欧洲公司 2018-06-08 CN 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
CN-106397254-A Chiral 8-hydroxyhomodrimane sesquiterpene amide compound and application of same as agricultural bactericide 南京农业大学 2017-02-15 CN 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-20150336935-A1 SHIP1 MODULATORS AND METHODS RELATED THERETO AQUINOX PHARMACEUTICALS CANADA INC (CA) 2015-11-26 US disclosed
EP-2943470-A1 SHIP1 MODULATORS AND METHODS RELATED THERETO Aquinox Pharmaceuticals (Canada) Inc. (CA) 2015-11-18 EP disclosed
WO-2014110036-A1 SHIP1 MODULATORS AND METHODS RELATED THERETO AQUINOX PHARMACEUTICALS INC. (CA) 2014-07-17 WO disclosed
WO-2002030385-A2 ANTI-INFLAMMATORY ACTIVE INGREDIENTS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2002-04-18 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 (6 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 PTPN1 17/4885ALDH1A1 1497/4885CYP3A4 4531/4885
US-20150336935-A1 SHIP1 MODULATORS AND METHODS RELATED THERETO PPM1A, PPM1D, PPP1R1B PTPN1 11/4885ALDH1A1 1351/4885CYP3A4 4581/4885
US-20180360828-A9 SHIP1 MODULATORS AND METHODS RELATED THERETO PPP1R1B, PPM1A, PPM1D PTPN1 17/4885ALDH1A1 1497/4885CYP3A4 4531/4885
US-20170224682-A1 SHIP1 MODULATORS AND METHODS RELATED THERETO PPP1R1B, PPM1A, PPM1D PTPN1 17/4885ALDH1A1 1497/4885CYP3A4 4531/4885
US-20160257671-A2 SHIP1 MODULATORS AND METHODS RELATED THERETO PPP1R1B, PPM1A, PPM1D PTPN1 17/4885ALDH1A1 1497/4885CYP3A4 4531/4885
US-20180161324-A1 SHIP1 MODULATORS AND METHODS RELATED THERETO PPP1R1B, PPM1A, PPM1D PTPN1 17/4885ALDH1A1 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.