SCHEMBL5585546

SCHEMBL5585546

COc1ccc(C(=O)C=CC(N)=O)cc1OC

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 6/20 0.69
MAPT P10636 5/20 0.67
LMNA P02545 3/20 0.67
TNFRSF1A P19438 2/20 0.63
ABCB1 P08183 2/20 0.63
MEN1 O00255 4/20 0.60
KMT2A Q03164 4/20 0.60
ALDH1A1 P00352 2/20 0.60
NPC1 O15118 1/20 0.60
USP2 O75604 1/20 0.60
MAPK1 P28482 1/20 0.60
ATM Q13315 1/20 0.60
NPSR1 Q6W5P4 1/20 0.60
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2C9 P11712 1/20 0.59
TSHR P16473 1/20 0.59
CYP2C19 P33261 1/20 0.59
CA1 P00915 2/20 0.58
CA2 P00918 2/20 0.58

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
SCHEMBL5585542 1.00 ABCG2 (0.69) ABCG2MAPTLMNATNFRSF1AABCB1
SCHEMBL5585541 0.87 ABCG2 (0.56) ABCG2MAPTLMNATNFRSF1AABCB1
SCHEMBL5585538 0.87 ABCG2 (0.56) ABCG2MAPTLMNATNFRSF1AABCB1
SCHEMBL5585560 0.86 ABCG2 (0.69) ABCG2MAPTLMNATNFRSF1AABCB1
SCHEMBL5585564 0.86 ABCG2 (0.69) ABCG2MAPTLMNATNFRSF1AABCB1
SCHEMBL5515521 0.85 ABCG2 (0.67) ABCG2MAPTLMNATNFRSF1AABCB1
SCHEMBL5585582 0.85 TNFRSF1A (0.75) ABCG2MAPTLMNATNFRSF1AABCB1
SCHEMBL5585584 0.85 TNFRSF1A (0.75) ABCG2MAPTLMNATNFRSF1AABCB1
SCHEMBL5515523 0.85 ABCG2 (0.67) ABCG2MAPTLMNATNFRSF1AABCB1
SCHEMBL18480639 0.83 ABCG2 (0.69) ABCG2MAPTLMNATNFRSF1AABCB1

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 2485/4885MAPT 2392/4885LMNA 3245/4885

“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.