SCHEMBL770988

SCHEMBL770988

CCC(C)NC(=O)NCCC(=O)N1CCCC2CCCC=C21

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.37
EPHX1 P07099 1/20 0.36
HTT P42858 1/20 0.35
KMT2A Q03164 3/20 0.35
KDM4E B2RXH2 4/20 0.34
LMNA P02545 2/20 0.32
ALDH1A1 P00352 4/20 0.32
GAA P10253 3/20 0.32
CYP2C19 P33261 2/20 0.32
CYP2C9 P11712 1/20 0.32
POLB P06746 2/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.31
MEN1 O00255 1/20 0.31

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
SCHEMBL770645 0.93 EPHX2 (0.40) EPHX2EPHX1HTTKMT2AKDM4E
SCHEMBL770028 0.91 KMT2A (0.33) EPHX2EPHX1KMT2AKDM4ELMNA
SCHEMBL771263 0.84 EPHX1 (0.39) EPHX2EPHX1KMT2AKDM4EMAPK1
SCHEMBL771395 0.82 OPRD1 (0.36) KMT2AALDH1A1POLBMEN1
SCHEMBL770410 0.81 CACNA1H (0.39) HTTKMT2ALMNAALDH1A1MAPT
SCHEMBL770673 0.81 MTNR1A (0.34) ALDH1A1MAPTMAPK1
SCHEMBL771680 0.81 DPP4 (0.32) KMT2ALMNAALDH1A1GAA
SCHEMBL770637 0.79 EPHX1 (0.48) EPHX2EPHX1KDM4EALDH1A1GAA
SCHEMBL771010 0.79 EPHX1 (0.48) EPHX2EPHX1KDM4EALDH1A1GAA
SCHEMBL770222 0.77 MEN1 (0.46) EPHX1KMT2AALDH1A1POLBMEN1

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 1149/4885EPHX1 227/4885HTT 412/4885
US-20120071466-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 HSD11B1, HSD17B1, HSD11B2 EPHX2 1153/4885EPHX1 232/4885HTT 425/4885

“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.