SCHEMBL19721140

SCHEMBL19721140

CCCCN(CCCC)C(=O)/C=C/c1ccc2c(c1)OCO2

nearest known ligand 0.84

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 2/20 0.84
▸ GABRG2 P18507 2/20 0.84
▸ GABRB3 P28472 2/20 0.84
▸ GABRA3 P34903 2/20 0.84
▸ GABRA2 P47869 2/20 0.84
▸ GABRB2 P47870 2/20 0.84
▸ TRPM8 Q7Z2W7 8/20 0.77
▸ CYP3A4 P08684 1/20 0.66
▸ HPGD P15428 4/20 0.61
▸ SMN1; SMN2 Q16637 2/20 0.58
▸ NPC1 O15118 1/20 0.58
▸ RAB9A P51151 1/20 0.58
▸ KDM4E B2RXH2 3/20 0.57
▸ ALDH1A1 P00352 3/20 0.57
▸ GAA P10253 1/20 0.57

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
SCHEMBL11460179 0.92 GABRA1 (1.00) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL11460180 0.92 GABRA1 (1.00) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL11434928 0.92 GABRA1 (1.00) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL17340454 0.92 GABRA1 (1.00) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL17340500 0.88 GABRA1 (0.93) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL17340474 0.87 GABRA1 (0.91) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL17340468 0.87 GABRA1 (0.91) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL10270783 0.87 TRPM8 (1.00) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL28408661 0.87 TRPM8 (1.00) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL10270781 0.85 TRPM8 (1.00) GABRA1GABRG2GABRB3GABRA3GABRA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10350192-B2 Lactate dehydrogenase inhibitor and antiepileptic drug containing the same NATIONAL UNIVERSITY CORPORATION OKAYAMA UNIVERSITY (JP) 2019-07-16 — — US disclosed
US-20180015068-A1 LACTATE DEHYDROGENASE INHIBITOR AND ANTIEPILEPTIC DRUG CONTAINING THE SAME NATIONAL UNIVERSITY CORPORATION OKAYAMA UNIVERSITY (JP) 2018-01-18 — — US disclosed
EP-3257510-A1 LACTATE DEHYDROGENASE INHIBITOR AND ANTIEPILEPTIC DRUG CONTAINING SAME National University Corporation Okayama University (JP) 2017-12-20 — — EP 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 (2 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-20180015068-A1 LACTATE DEHYDROGENASE INHIBITOR AND ANTIEPILEPTIC DRUG CONTAINING THE SAME LDHA, LDHB, ALDH5A1 GABRA1 706/4885GABRG2 795/4885GABRB3 467/4885
US-10350192-B2 Lactate dehydrogenase inhibitor and antiepileptic drug containing the same LDHA, LDHB, ALDH5A1 GABRA1 706/4885GABRG2 795/4885GABRB3 467/4885

“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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