SCHEMBL389494

SCHEMBL389494

CC(C)Oc1cc(I)cc(OC(C)C)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
GRIN2D O15399 1/20 0.37
GRIN3B O60391 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2A Q12879 1/20 0.37
GRIN2B Q13224 1/20 0.37
GRIN2C Q14957 1/20 0.37
GRIN3A Q8TCU5 1/20 0.37
ALDH1A3 P47895 1/20 0.37
GABRA1 P14867 1/20 0.36
GABRB1 P18505 1/20 0.36
GABRB2 P47870 1/20 0.36
KMT2A Q03164 2/20 0.35
PARP10 Q53GL7 1/20 0.34
BRD4 O60885 1/20 0.34
BRPF1 P55201 1/20 0.34
PDE4A P27815 1/20 0.33
PDE4D Q08499 1/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL8370932 0.86 ALDH1A1 (0.44) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL2227610 0.84 KAT6A (0.35) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL2227501 0.84 GABRA1 (0.39) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL19121471 0.84 GABRA1 (0.34) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL10174930 0.84 GRIN2D (0.36) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL16962181 0.84 GRIN2D (0.33) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL16952942 0.81 KMT2A (0.37) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL16954982 0.80 GRIN2D (0.30) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL16952930 0.80 ALDH1A3 (0.36) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL25565735 0.78 PDE4A (0.42) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A

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 33 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
WO-2014110036-A1 SHIP1 MODULATORS AND METHODS RELATED THERETO AQUINOX PHARMACEUTICALS INC. (CA) 2014-07-17 WO disclosed
EP-2507221-A1 SHIP1 MODULATORS AND METHODS RELATED THERETO Aquinox Pharmaceuticals Inc. (CA) 2012-10-10 EP 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
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 (5 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 1497/4885GRIN2D 4744/4885GRIN3B 3496/4885
US-20110136802-A1 SHIP1 MODULATORS AND METHODS RELATED THERETO PPM1D, PTPRO, PPM1G ALDH1A1 1441/4885GRIN2D 4666/4885GRIN3B 2950/4885
US-20180360828-A9 SHIP1 MODULATORS AND METHODS RELATED THERETO PPP1R1B, PPM1A, PPM1D ALDH1A1 1497/4885GRIN2D 4744/4885GRIN3B 3496/4885
US-20170224682-A1 SHIP1 MODULATORS AND METHODS RELATED THERETO PPP1R1B, PPM1A, PPM1D ALDH1A1 1497/4885GRIN2D 4744/4885GRIN3B 3496/4885
US-20180161324-A1 SHIP1 MODULATORS AND METHODS RELATED THERETO PPP1R1B, PPM1A, PPM1D ALDH1A1 1497/4885GRIN2D 4744/4885GRIN3B 3496/4885

“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.