SCHEMBL1932369

SCHEMBL1932369

C=CCC(=O)O[C@@H]1CCCC[C@H]1c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ FABP5 Q01469 6/20 0.53
▸ FABP7 O15540 4/20 0.53
▸ FABP3 P05413 3/20 0.53
▸ SLC18A3 Q16572 4/20 0.42
▸ TACR1 P25103 1/20 0.40
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ KCNQ3 O43525 2/20 0.37
▸ KCNQ2 O43526 2/20 0.37
▸ HPGD P15428 1/20 0.37
▸ SLC6A2 P23975 1/20 0.36
▸ SLC6A4 P31645 1/20 0.36
▸ CHRM2 P08172 1/20 0.36
▸ CHRM4 P08173 1/20 0.36
▸ CHRM5 P08912 1/20 0.36
▸ CHRM1 P11229 1/20 0.36
▸ CHRM3 P20309 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
SCHEMBL15064397 1.00 FABP5 (0.53) FABP5FABP7FABP3SLC18A3TACR1
SCHEMBL12556037 1.00 FABP5 (0.53) FABP5FABP7FABP3SLC18A3TACR1
SCHEMBL15083015 1.00 FABP5 (0.53) FABP5FABP7FABP3SLC18A3TACR1
SCHEMBL1932636 0.94 FABP5 (0.48) FABP5FABP7FABP3SLC18A3TACR1
SCHEMBL6858142 0.82 FABP5 (0.58) FABP5FABP7FABP3SLC18A3TACR1
SCHEMBL9370830 0.82 FABP5 (0.58) FABP5FABP7FABP3SLC18A3TACR1
SCHEMBL28635740 0.81 FABP5 (0.57) FABP5FABP7FABP3SLC18A3TACR1
SCHEMBL28635739 0.81 FABP5 (0.57) FABP5FABP7FABP3SLC18A3TACR1
SCHEMBL7433044 0.81 FABP5 (0.57) FABP5FABP7FABP3SLC18A3TACR1
SCHEMBL28644515 0.81 FABP5 (0.57) FABP5FABP7FABP3SLC18A3TACR1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130172553-A1 CHIRAL SYNTHESIS OF ISOXAZOLINES, ISOXAZOLINE COMPOUNDS, AND USES THEREOF CPSI STOCKHOLDER TRUST (US) 2013-07-04 — — US disclosed
US-20130172553-A1 CHIRAL SYNTHESIS OF ISOXAZOLINES, ISOXAZOLINE COMPOUNDS, AND USES THEREOF CPSI STOCKHOLDER TRUST (US) 2013-07-04 — — US disclosed
US-20130172553-A1 CHIRAL SYNTHESIS OF ISOXAZOLINES, ISOXAZOLINE COMPOUNDS, AND USES THEREOF CPSI STOCKHOLDER TRUST (US) 2013-07-04 — — US disclosed
WO-2011066482-A2 CHIRAL SYNTHESIS OF ISOXAZOLINES, ISOXAZOLINE COMPOUNDS, AND USES THEREOF CYTOKINE PHARMASCIENCES, INC. (US) 2011-06-03 — — WO disclosed
WO-2011066482-A2 CHIRAL SYNTHESIS OF ISOXAZOLINES, ISOXAZOLINE COMPOUNDS, AND USES THEREOF CYTOKINE PHARMASCIENCES, INC. (US) 2011-06-03 — — 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 (1 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-20130172553-A1 CHIRAL SYNTHESIS OF ISOXAZOLINES, ISOXAZOLINE COMPOUNDS, AND USES THEREOF CYP3A7, CYP2A7, UGT1A7 FABP5 3497/4885FABP7 1058/4885FABP3 3432/4885

“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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