SCHEMBL19214464

SCHEMBL19214464

COc1cc(O)cc(OCC2C(C)=CCC3C(C)(C)CCC[C@]23C)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ DUSP3 P51452 11/20 0.47
▸ CDC25A P30304 9/20 0.47
▸ ATP1A1 P05023 3/20 0.44
▸ ATP1B1 P05026 3/20 0.44
▸ ATP1A3 P13637 3/20 0.44
▸ ATP1B2 P14415 3/20 0.44
▸ ATP1A2 P50993 3/20 0.44
▸ ATP1B3 P54709 3/20 0.44
▸ FXYD2 P54710 3/20 0.44
▸ ATP1A4 Q13733 3/20 0.44
▸ PTPN1 P18031 6/20 0.44
▸ MAPKAPK2 P49137 1/20 0.42
▸ ALOX15 P16050 2/20 0.40
▸ CHRNB2 P17787 2/20 0.37
▸ CHRNB4 P30926 2/20 0.37
▸ CHRNA3 P32297 2/20 0.37
▸ CHRNA4 P43681 2/20 0.37
▸ TRPA1 O75762 1/20 0.37
▸ CHRNA7 P36544 1/20 0.36

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
SCHEMBL15874318 1.00 DUSP3 (0.47) DUSP3CDC25AATP1A1ATP1B1ATP1A3
SCHEMBL15874317 1.00 DUSP3 (0.47) DUSP3CDC25AATP1A1ATP1B1ATP1A3
SCHEMBL15886627 1.00 DUSP3 (0.47) DUSP3CDC25AATP1A1ATP1B1ATP1A3
SCHEMBL15886628 0.94 DUSP3 (0.48) DUSP3CDC25AATP1A1ATP1B1ATP1A3
SCHEMBL20260275 0.94 DUSP3 (0.48) DUSP3CDC25AATP1A1ATP1B1ATP1A3
SCHEMBL15874368 0.94 DUSP3 (0.48) DUSP3CDC25AATP1A1ATP1B1ATP1A3
SCHEMBL15886567 0.91 DUSP3 (0.46) DUSP3CDC25AATP1A1ATP1B1ATP1A3
SCHEMBL15874282 0.90 DUSP3 (0.47) DUSP3CDC25AATP1A1ATP1B1ATP1A3
SCHEMBL17273933 0.90 DUSP3 (0.47) DUSP3CDC25AATP1A1ATP1B1ATP1A3
SCHEMBL15874280 0.90 DUSP3 (0.47) DUSP3CDC25AATP1A1ATP1B1ATP1A3

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 4 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-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-20170224682-A1 SHIP1 MODULATORS AND METHODS RELATED THERETO NEOLEUKIN THERAPEUTICS, INC. 2017-08-10 — — 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 (3 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 DUSP3 753/4885CDC25A 499/4885ATP1A1 75/4885
US-20170224682-A1 SHIP1 MODULATORS AND METHODS RELATED THERETO PPP1R1B, PPM1A, PPM1D DUSP3 753/4885CDC25A 499/4885ATP1A1 75/4885
US-20180161324-A1 SHIP1 MODULATORS AND METHODS RELATED THERETO PPP1R1B, PPM1A, PPM1D DUSP3 753/4885CDC25A 499/4885ATP1A1 75/4885

“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.

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