SCHEMBL786865

SCHEMBL786865

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
EPHX2 P34913 12/20 0.38
HTT P42858 2/20 0.37
CCR3 P51677 1/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
RAB9A P51151 1/20 0.37
TSHR P16473 1/20 0.36
ALOX5 P09917 1/20 0.35
EPHX1 P07099 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34

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
SCHEMBL772545 0.94 ALDH1A1 (0.39) MEN1KMT2AEPHX2HTTCCR3
SCHEMBL15377671 0.89 EPHX2 (0.50) MEN1KMT2AEPHX2HTTCCR3
SCHEMBL769864 0.89 EPHX2 (0.40) MEN1KMT2AEPHX2HTTCCR3
SCHEMBL772172 0.87 EPHX2 (0.52) MEN1KMT2AEPHX2HTTNPC1
SCHEMBL770473 0.86 EPHX2 (0.33) EPHX2HTTNPC1ALDH1A1LMNA
SCHEMBL15377730 0.83 HTT (0.50) MEN1KMT2AEPHX2HTTCCR3
SCHEMBL770873 0.81 EPHX2 (0.48) MEN1KMT2AEPHX2HTTCCR3
SCHEMBL15377530 0.79 EPHX2 (0.51) MEN1KMT2AEPHX2HTTNPC1
SCHEMBL769987 0.77 EPHX2 (0.50) EPHX2NPC1RAB9AEPHX1
SCHEMBL772557 0.77 EPHX2 (0.50) EPHX2NPC1RAB9AEPHX1

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 MEN1 823/4885KMT2A 3893/4885EPHX2 1153/4885

“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.