SCHEMBL388119

SCHEMBL388119

COc1cc(C)cc(I)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
ACHE P22303 3/20 0.44
CYP3A4 P08684 3/20 0.41
PTPN1 P18031 2/20 0.39
CYP1A1 P04798 2/20 0.37
CYP1B1 Q16678 2/20 0.37
KDM4E B2RXH2 1/20 0.35
GLA P06280 1/20 0.35
ELANE P08246 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
TSHR P16473 1/20 0.34
MAPK1 P28482 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
SCHEMBL388181 0.84 ALDH1A1 (0.69) ALDH1A1CYP3A4CYP1A1CYP1B1CA12
SCHEMBL811852 0.84 ALDH1A1 (0.59) ALDH1A1CYP3A4CYP1A1CYP1B1CA12
SCHEMBL145855 0.81 ALDH1A1 (0.62) ALDH1A1ACHECYP3A4PTPN1CYP1A1
SCHEMBL12501 0.81 ALDH1A1 (0.73) ALDH1A1ACHECYP3A4PTPN1CYP1A1
SCHEMBL29587173 0.78 ALDH1A1 (0.59) ALDH1A1ACHECYP3A4PTPN1CYP1A1
SCHEMBL16140269 0.75 ALDH1A1 (0.48) ALDH1A1ACHECYP3A4PTPN1CYP1A1
SCHEMBL16951845 0.75 NQO1 (0.42) CYP3A4ALOX15TSHRTDP1
SCHEMBL812374 0.74
SCHEMBL79108 0.74
SCHEMBL2952197 0.74 ALDH1A1 (0.53) ALDH1A1ACHECYP3A4PTPN1CYP1A1

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 40 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-20170283343-A1 POLYMER-SUPPORTED TRANSITION CATALYST TOYO GOSEI CO., LTD. (JP) 2017-10-05 US disclosed
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
US-8101605-B2 SHIP1 modulators and methods related thereto AQUINOX PHARMACEUTICALS INC. (CA) 2012-01-24 US disclosed
US-8093385-B2 Leukotriene B4 inhibitors HOFFMANN-LA ROCHE INC. (US) 2012-01-10 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
US-20090054466-A1 Leukotriene B4 Inhibitors DOMINIQUE ROMYR 2009-02-26 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 (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 ALDH1A1 1497/4885ACHE 2907/4885CYP3A4 4531/4885
US-20170283343-A1 POLYMER-SUPPORTED TRANSITION CATALYST SOD1, PCNA, PARP1 ALDH1A1 1876/4885ACHE 229/4885CYP3A4 2254/4885
US-20110136802-A1 SHIP1 MODULATORS AND METHODS RELATED THERETO PPM1D, PTPRO, PPM1G ALDH1A1 1441/4885ACHE 2896/4885CYP3A4 4358/4885
US-20090054466-A1 Leukotriene B4 Inhibitors LTB4R2, LTB4R, LTC4S ALDH1A1 685/4885ACHE 1901/4885CYP3A4 402/4885
US-20180360828-A9 SHIP1 MODULATORS AND METHODS RELATED THERETO PPP1R1B, PPM1A, PPM1D ALDH1A1 1497/4885ACHE 2907/4885CYP3A4 4531/4885
US-20180161324-A1 SHIP1 MODULATORS AND METHODS RELATED THERETO PPP1R1B, PPM1A, PPM1D ALDH1A1 1497/4885ACHE 2907/4885CYP3A4 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.