SCHEMBL5585936

SCHEMBL5585936

O=C(O)/C=C\C(=O)c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.68
MAPT P10636 6/20 0.68
KMT2A Q03164 2/20 0.68
LMNA P02545 3/20 0.65
NPSR1 Q6W5P4 3/20 0.65
HPGD P15428 3/20 0.65
HTT P42858 2/20 0.65
THRB P10828 1/20 0.65
RECQL P46063 2/20 0.61
PLIN1 O60240 2/20 0.61
PLIN5 Q00G26 2/20 0.61
ABHD5 Q8WTS1 2/20 0.61
MAOB P27338 2/20 0.61
BCHE P06276 1/20 0.61
TNFRSF1A P19438 1/20 0.61
ACHE P22303 1/20 0.61
CYP1B1 Q16678 1/20 0.61
MAPK1 P28482 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
AKT1 P31749 2/20 0.56

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
SCHEMBL312430 1.00 ALDH1A1 (0.68) ALDH1A1MAPTKMT2ALMNANPSR1
SCHEMBL312429 1.00 ALDH1A1 (0.68) ALDH1A1MAPTKMT2ALMNANPSR1
SCHEMBL10876318 0.98 ALDH1A1 (0.65) ALDH1A1MAPTKMT2ALMNANPSR1
Formic Acid SCHEMBL3315659 0.93 ALDH1A1 (0.61) ALDH1A1MAPTKMT2ALMNANPSR1
SCHEMBL2954324 0.92 MAPT (0.70) ALDH1A1MAPTKMT2ALMNANPSR1
SCHEMBL2954318 0.92 MAPT (0.70) ALDH1A1MAPTKMT2ALMNANPSR1
SCHEMBL11073619 0.92 MAPT (0.70) ALDH1A1MAPTKMT2ALMNANPSR1
SCHEMBL14124718 0.87 MAPT (0.64) ALDH1A1MAPTKMT2ALMNANPSR1
SCHEMBL6947073 0.87 MAPT (0.64) ALDH1A1MAPTKMT2ALMNANPSR1
SCHEMBL14124738 0.87 MAPT (0.64) ALDH1A1MAPTKMT2ALMNANPSR1

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-0204286-B1 PROCESS FOR PREPARING TRANS-BETA-BENZOYLACRYLIC ACID ESTER KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1991-12-11 EP claimed
EP-0190687-B1 PROCESS FOR PREPARING ETHYL-ALPHA-(1-CARBOXYETHYL)-AMINO-GAMMA-OXO-GAMMA-PHENYLBUTYRATE KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1988-10-05 EP claimed
EP-0204286-A2 Process for preparing trans-beta-benzoylacrylic acid ester KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1986-12-10 EP claimed
US-7691889-B2 Antimycobacterial compounds LUPIN LIMITED (IN) 2010-04-06 US disclosed
US-20070191365-A1 3,4,6-Substituted pyridazines for treating neuropathic pain and associated syndromes AVIGEN, INC. 2007-08-16 US disclosed
US-7161022-B2 Process for producing 4-phenyl-4-oxo-2-butenoic ester derivative FUJIFILM FINECHEMICALS CO., LTD. (JP) 2007-01-09 US disclosed
US-20050176994-A1 Process for producing 4-phenyl-4-oxo-2-butenoic ester derivative SANKIO CHEMICAL CO., LTD. (JP) 2005-08-11 US disclosed
EP-1505054-A1 PROCESS FOR PRODUCING 4-PHENYL-4-OXO-2-BUTENOIC ESTER DERIVATIVE Sankio Chemical Co., Ltd. (JP) 2005-02-09 EP disclosed
EP-0204286-B1 PROCESS FOR PREPARING TRANS-BETA-BENZOYLACRYLIC ACID ESTER KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1991-12-11 EP disclosed
US-4994600-A Process for preparing trans-β-benzoylacrylic acid ester KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1991-02-19 US disclosed
EP-0240338-B1 BUTENOIC ACID DERIVATIVES RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 1990-07-04 EP disclosed
US-4762944-A ANTIULCER, ANTISECRETORY AGENTS RICHTER GEDEON VEGYESZETI GYAR RT (HU) 1988-08-09 US disclosed
EP-0240338-A1 Butenoic acid derivatives RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 1987-10-07 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-20070191365-A1 3,4,6-Substituted pyridazines for treating neuropathic pain and associated syndromes PMP22, P2RX6, OPRL1 ALDH1A1 1551/4885MAPT 591/4885KMT2A 1981/4885
US-20050176994-A1 Process for producing 4-phenyl-4-oxo-2-butenoic ester derivative HPD, PAH, CYP4A11 ALDH1A1 1038/4885MAPT 2392/4885KMT2A 1717/4885

“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.