SCHEMBL772545

SCHEMBL772545

O=C(NCCC(=O)N1CCCC2CCCC=C21)NC12CCCC(CCC1)C2.[CH2]

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
LMNA P02545 2/20 0.39
NPC1 O15118 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CCR3 P51677 1/20 0.35
EPHX2 P34913 10/20 0.33
TSHR P16473 1/20 0.33
EPHX1 P07099 3/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ALOX5 P09917 1/20 0.32

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
SCHEMBL786865 0.94 MEN1 (0.38) ALDH1A1LMNANPC1HTTRAB9A
SCHEMBL770473 0.91 EPHX2 (0.33) ALDH1A1LMNANPC1HTTRAB9A
SCHEMBL15377730 0.89 HTT (0.50) ALDH1A1LMNANPC1HTTRAB9A
SCHEMBL769864 0.85 EPHX2 (0.40) ALDH1A1LMNANPC1HTTRAB9A
SCHEMBL15377671 0.83 EPHX2 (0.50) ALDH1A1LMNANPC1HTTRAB9A
SCHEMBL772172 0.83 EPHX2 (0.52) ALDH1A1LMNANPC1HTTRAB9A
SCHEMBL15377306 0.80 EPHX2 (0.46) ALDH1A1LMNANPC1HTTRAB9A
SCHEMBL771680 0.77 DPP4 (0.32) ALDH1A1LMNAKMT2A
SCHEMBL770028 0.77 KMT2A (0.33) LMNAKMT2AEPHX2EPHX1
SCHEMBL770410 0.76 CACNA1H (0.39) ALDH1A1LMNANPC1HTTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20120071466-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 HSD11B1, HSD17B1, HSD11B2 ALDH1A1 142/4885LMNA 3116/4885NPC1 104/4885

“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.