SCHEMBL770059

SCHEMBL770059

O=C(NCCCCC(=O)N1CCCC2CCCC=C21)NCc1ccco1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.54
TDP1 Q9NUW8 2/20 0.53
FPR3 P25089 1/20 0.41
FPR2 P25090 1/20 0.41
HSD17B10 Q99714 2/20 0.40
KMT2A Q03164 1/20 0.40
ALOX15 P16050 1/20 0.39
MAPK1 P28482 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39
RECQL P46063 1/20 0.38
PTBP1 P26599 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL770246 0.93 EPHX2 (0.48) EPHX2TDP1HSD17B10KMT2AALOX15
SCHEMBL771634 0.85 KEAP1 (0.48) EPHX2
SCHEMBL771344 0.82 KEAP1 (0.46) EPHX2
SCHEMBL771768 0.80 CCR3 (0.47) KMT2AALDH1A1HTT
SCHEMBL771263 0.78 EPHX1 (0.39) EPHX2KMT2AMAPK1
SCHEMBL770654 0.77 EPHX1 (0.50) EPHX2
SCHEMBL770322 0.77 EPHX1 (0.50) EPHX2
SCHEMBL770429 0.77 EPHX1 (0.47) EPHX2ALDH1A1
SCHEMBL771349 0.77 CACNA1H (0.37) ALDH1A1
SCHEMBL772172 0.77 EPHX2 (0.52) EPHX2KMT2AALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8822452-B2 Inhibitor compounds of 11-beta-hydroxysteroid dehydrogenase type 1 LABORATORIOS SALVAT, S.A. (ES) 2014-09-02 US disclosed
US-20130303522-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 LABORATORIOS SALVAT, S.A. (ES) 2013-11-14 US disclosed
US-8524894-B2 Inhibitor compounds of 11-beta-hydroxysteroid dehydrogenase type 1 LABORATORIOS SALVAT, S.A. (ES) 2013-09-03 US disclosed
US-20120071466-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 LABORATORIOS SALVAT, S.A. (ES) 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 (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-20130303522-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 HSD11B1, HSD17B1, HSD11B2 EPHX2 1149/4885TDP1 135/4885FPR3 4144/4885
US-20120071466-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 HSD11B1, HSD17B1, HSD11B2 EPHX2 1153/4885TDP1 134/4885FPR3 4155/4885

“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.