SCHEMBL12923486

SCHEMBL12923486

C=C(O)CC1(NC(=O)Nc2ccc(CCCCCCCC)cc2)C[N+](C)(C)C1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 1/20 0.50
▸ EPHX1 P07099 1/20 0.48
▸ EPHX2 P34913 1/20 0.48
▸ THRA P10827 4/20 0.48
▸ THRB P10828 4/20 0.48
▸ CA12 O43570 1/20 0.47
▸ CA1 P00915 1/20 0.47
▸ CA2 P00918 1/20 0.47
▸ CA9 Q16790 1/20 0.47
▸ GAA P10253 1/20 0.45
▸ SPHK1 Q9NYA1 7/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ MAPT P10636 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ POLB P06746 1/20 0.43

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
SCHEMBL12923365 0.91 S1PR1 (0.55) S1PR1EPHX1EPHX2THRATHRB
SCHEMBL13943196 0.89 EPHX1 (0.50) S1PR1EPHX1EPHX2THRATHRB
Iodide SCHEMBL980182 0.85 EPHX2 (0.46) S1PR1EPHX1EPHX2THRATHRB
Trifluoroacetic Acid SCHEMBL979864 0.84 S1PR1 (0.47) S1PR1EPHX1EPHX2THRATHRB
SCHEMBL12923343 0.83 S1PR1 (0.51) S1PR1EPHX1EPHX2THRATHRB
SCHEMBL12923317 0.82 S1PR1 (0.49) S1PR1EPHX1EPHX2THRATHRB
SCHEMBL979866 0.81 EPHX1 (0.43) S1PR1EPHX1EPHX2THRATHRB
SCHEMBL12923483 0.81 S1PR1 (0.56) S1PR1EPHX1EPHX2THRATHRB
Iodide SCHEMBL978539 0.77 EPHX2 (0.43) S1PR1EPHX1EPHX2THRATHRB
Trifluoroacetic Acid SCHEMBL977607 0.77 S1PR1 (0.45) S1PR1EPHX1EPHX2THRATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8680282-B2 Cyclic inhibitors of carnitine palmitoyltransferase and treating cancer UNIVERSITY HEALTH NETWORK (CA) 2014-03-25 — — US disclosed
US-20110015174-A1 CYCLIC INHIBITORS OF CARNITINE PALMITOYLTRANSFERASE AND TREATING CANCER UNIVERSITY HEALTH NETWORK (CA) 2011-01-20 — — 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 (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-20110015174-A1 CYCLIC INHIBITORS OF CARNITINE PALMITOYLTRANSFERASE AND TREATING CANCER CPT1A, CPT1B, CPT2 S1PR1 261/4885EPHX1 3878/4885EPHX2 4311/4885

“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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