SCHEMBL800077

SCHEMBL800077

COc1ccc(C/C(=C\C(C)C)C(=O)O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.54
CTBP2 P56545 1/20 0.53
LDHA P00338 1/20 0.50
ALDH1A1 P00352 3/20 0.47
POLB P06746 2/20 0.47
USP2 O75604 1/20 0.47
TP53 P04637 1/20 0.47
KDM4E B2RXH2 1/20 0.47
SMN1; SMN2 Q16637 4/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 2/20 0.45
KLK7 P49862 2/20 0.45
FFAR1 O14842 1/20 0.45
TDP1 Q9NUW8 2/20 0.44
ATM Q13315 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CNR2 P34972 1/20 0.44
MEN1 O00255 1/20 0.44
CYP3A4 P08684 1/20 0.44
HPGD P15428 1/20 0.44

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
SCHEMBL800784 0.84 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2FFAR1
SCHEMBL800118 0.83 CA2 (0.52) CTBP2CYP3A4
SCHEMBL800484 0.82 CYP3A4 (0.58) CTBP2ALDH1A1POLBNPC1RAB9A
SCHEMBL800614 0.81 LTA4H (0.44) CYP3A4
SCHEMBL800089 0.81 CYP19A1 (0.43) TP53KDM4ESMN1; SMN2TDP1CYP3A4
SCHEMBL800588 0.81 ALDH1A1 (0.47) ALDH1A1POLBUSP2TP53KDM4E
SCHEMBL11116804 0.81 CTBP2 (0.55) HTTCTBP2LDHAALDH1A1POLB
SCHEMBL800076 0.78 PLA2G10 (0.45) POLBTDP1L3MBTL1CYP3A4
SCHEMBL12473726 0.76 NPC1 (0.57) HTTALDH1A1POLBSMN1; SMN2NPC1
SCHEMBL5791802 0.74 CTBP2 (0.64) HTTCTBP2LDHAALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160151322-A1 METALLO-B-LACTAMASE INHIBITORS MEIJI SEIKA KAISHA (JP) 2016-06-02 US disclosed
US-9260375-B2 Metallo-β-lactamase inhibitors MEIJI SEIKA KAISHA, LTD. (JP) 2016-02-16 US disclosed
US-9115079-B2 NDM inhibitor MEIJI SEIKA PHARMA CO., LTD. (JP) 2015-08-25 US disclosed
US-20140221330-A1 NDM INHIBITOR MEIJI SEIKA PHARMA CO., LTD. (JP) 2014-08-07 US disclosed
US-20120071457-A1 METALLO-BETA-LACTAMASE INHIBITORS CHIKAUCHI KEN (JP) 2012-03-22 US 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-20120071457-A1 METALLO-BETA-LACTAMASE INHIBITORS ME1, MGAM, GAA HTT 4870/4885CTBP2 4046/4885LDHA 31/4885
US-20140221330-A1 NDM INHIBITOR MGAM, NQO1, NQO2 HTT 4840/4885CTBP2 4106/4885LDHA 432/4885
US-20160151322-A1 METALLO-B-LACTAMASE INHIBITORS ME1, MGAM, MANBA HTT 4875/4885CTBP2 3605/4885LDHA 30/4885

“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.