SCHEMBL6693929

SCHEMBL6693929

C=CCc1ccccc1C(=O)CC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.42
GABRB2 P47870 1/20 0.42
CYP3A4 P08684 2/20 0.41
KDM4E B2RXH2 6/20 0.39
HSD17B10 Q99714 4/20 0.39
CYP1A2 P05177 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39
PDK2 Q15119 1/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
HTT P42858 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
MAPT P10636 3/20 0.39
ALDH1A1 P00352 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GAA P10253 1/20 0.37
HSP90AB1 P08238 1/20 0.37

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
SCHEMBL2237166 0.85 GABRA1 (0.54) GABRA1GABRB2CYP3A4KDM4EHSD17B10
SCHEMBL2705985 0.84 GABRA1 (0.43) GABRA1GABRB2CYP3A4KDM4EHSD17B10
SCHEMBL16966280 0.83 GABRA1 (0.41) GABRA1GABRB2CYP3A4KDM4EHSD17B10
SCHEMBL11786355 0.82 HTT (0.44) CYP3A4KMT2AMEN1HTTHDAC3
SCHEMBL4938884 0.82 GABRA1 (0.42) GABRA1GABRB2CYP3A4KDM4EHSD17B10
SCHEMBL14969275 0.81 GABRA1 (0.44) GABRA1GABRB2CYP3A4KDM4EHSD17B10
SCHEMBL3251271 0.81 CYP3A4 (0.47) GABRA1GABRB2CYP3A4KDM4EHSD17B10
Benzene SCHEMBL27083018 0.81 FOLH1 (0.55) GABRA1GABRB2CYP3A4KDM4EHPGD
SCHEMBL474921 0.81 GABRA1 (0.47) GABRA1GABRB2CYP3A4KDM4EHSD17B10
SCHEMBL89060 0.81 FOLH1 (0.55) GABRA1GABRB2CYP3A4KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0045571-A1 Process for the production of phenyl substituted aldehydes and of phenyl substituted alcohols BUSH BOAKE ALLEN Limited (GB) 1982-02-10 EP claimed
US-20230076320-A1 NORFENFLURAMINE TO TREAT DRAVET SYNDROME ZOGENIX INTERNATIONAL LIMITED (GB) 2023-03-09 US disclosed
US-20200297665-A1 COMPOSITIONS AND METHODS FOR TREATING SEIZURE DISORDERS ZOGENIX INTERNATIONAL LIMITED (GB) 2020-09-24 US disclosed
EP-3518908-A2 COMPOSITIONS AND METHODS FOR TREATING SEIZURE DISORDERS Zogenix International Limited (GB) 2019-08-07 EP disclosed
WO-2018060732-A2 COMPOSITIONS AND METHODS FOR TREATING SEIZURE DISORDERS ZOGENIX INTERNATIONAL LIMITED (GB) 2018-04-05 WO disclosed
US-20180092864-A1 COMPOSITIONS AND METHODS FOR TREATING SEIZURE DISORDERS ZOGENIX INTERNATIONAL LIMITED (GB) 2018-04-05 US disclosed
EP-0985649-B1 Method for producing an aromatic compound having an alkyl group with at least three carbon atoms TORAY INDUSTRIES (JP) 2004-11-24 EP disclosed
US-6462248-B1 THROUGH CONVERSION, ISOMERIZATION AND/OR ADSORPTIVE SEPARATION OF AROMATIC COMPOUNDS TORAY INDUSTRIES, INC. (JP) 2002-10-08 US disclosed
EP-0850948-B1 Propiophenone derivatives and process for preparing the same TANABE SEIYAKU CO (JP) 2002-04-24 EP disclosed
US-6048842-A ANTIDIABETIC AGENT TANABE SEIYAKU CO., LTD. (JP) 2000-04-11 US disclosed
EP-0985649-A2 Method for producing an aromatic compound having an alkyl group with at least three carbon atoms TORAY INDUSTRIES, INC. (JP) 2000-03-15 EP disclosed
EP-0850948-A1 Propiophenone derivatives and process for preparing the same TANABE SEIYAKU CO., LTD. (JP) 1998-07-01 EP disclosed
EP-0424242-A2 Process for preparing carboxylic acids by means of oxidation of corresponding aldehydes L'AIR LIQUIDE, SOCIETE ANONYME POUR L'ETUDE ET L'EXPLOITATION DES PROCEDES GEORGES CLAUDE (FR) 1991-04-24 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 (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-20230076320-A1 NORFENFLURAMINE TO TREAT DRAVET SYNDROME TPH2, HTR5A, TPH1 GABRA1 147/4885GABRB2 42/4885CYP3A4 505/4885
US-20180092864-A1 COMPOSITIONS AND METHODS FOR TREATING SEIZURE DISORDERS PSEN2, EPM2A, TPH2 GABRA1 114/4885GABRB2 41/4885CYP3A4 311/4885
US-20200297665-A1 COMPOSITIONS AND METHODS FOR TREATING SEIZURE DISORDERS PSEN2, EPM2A, TPH2 GABRA1 114/4885GABRB2 41/4885CYP3A4 311/4885

“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.