SCHEMBL5585475

SCHEMBL5585475

COc1ccc(C(=O)/C=C/C(=O)c2ccccc2)cc1Cl

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 3/20 0.59
TNFRSF1A P19438 1/20 0.57
NPC1 O15118 6/20 0.54
RAB9A P51151 5/20 0.54
MAPT P10636 4/20 0.54
LMNA P02545 3/20 0.54
BCHE P06276 1/20 0.54
ALDH1A1 P00352 3/20 0.53
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
HTT P42858 1/20 0.53
KCNH2 Q12809 1/20 0.53
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
HPGD P15428 1/20 0.52
CYP2C19 P33261 1/20 0.52
RECQL P46063 1/20 0.52
GPR55 Q9Y2T6 1/20 0.52

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
SCHEMBL5585485 1.00 ABCG2 (0.59) ABCG2TNFRSF1ANPC1RAB9AMAPT
SCHEMBL5585484 0.89 ALDH1A1 (0.59) ABCG2TNFRSF1ANPC1RAB9AMAPT
SCHEMBL5585477 0.89 ALDH1A1 (0.59) ABCG2TNFRSF1ANPC1RAB9AMAPT
SCHEMBL5585584 0.86 TNFRSF1A (0.75) ABCG2TNFRSF1ANPC1RAB9AMAPT
SCHEMBL5585582 0.86 TNFRSF1A (0.75) ABCG2TNFRSF1ANPC1RAB9AMAPT
SCHEMBL5585779 0.85 ALDH1A1 (0.63) ABCG2TNFRSF1ANPC1RAB9AMAPT
SCHEMBL5585775 0.85 ALDH1A1 (0.63) ABCG2TNFRSF1ANPC1RAB9AMAPT
SCHEMBL5585538 0.85 ABCG2 (0.56) ABCG2TNFRSF1ANPC1MAPTLMNA
SCHEMBL5585541 0.85 ABCG2 (0.56) ABCG2TNFRSF1ANPC1MAPTLMNA
SCHEMBL9365255 0.83 CYP1A2 (0.67) NPC1RAB9AMAPTLMNABCHE

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-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

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-20050176994-A1 Process for producing 4-phenyl-4-oxo-2-butenoic ester derivative HPD, PAH, CYP4A11 ABCG2 2485/4885TNFRSF1A 4317/4885NPC1 4367/4885

“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.