SCHEMBL769726

SCHEMBL769726

COC(=O)CN(Cc1ccc(OCc2ccccc2)cc1)C(=O)CCCC(=O)N1CCCC2CCCC=C21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KMT2A Q03164 1/20 0.41
CHRNB2 P17787 1/20 0.40
CHRNA5 P30532 1/20 0.40
CHRNA7 P36544 1/20 0.40
CHRNA4 P43681 1/20 0.40
LMNA P02545 4/20 0.40
ALDH1A1 P00352 3/20 0.40
LTA4H P09960 1/20 0.40
PTPN1 P18031 1/20 0.40
L3MBTL1 Q9Y468 3/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 2/20 0.39
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
OPRM1 P35372 1/20 0.38
OPRD1 P41143 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
SCHEMBL771357 0.93 OPRM1 (0.41) KDM4ESMN1; SMN2KMT2ACHRNB2CHRNA5
SCHEMBL769725 0.82 ACE (0.43) KDM4ESMN1; SMN2KMT2ACHRNB2CHRNA5
SCHEMBL770312 0.81 KDM4E (0.38) KDM4EKMT2ACHRNB2CHRNA4ALDH1A1
SCHEMBL772447 0.80 ALDH1A1 (0.41) LMNAALDH1A1LTA4HL3MBTL1NPC1
SCHEMBL770279 0.78 ALDH1A1 (0.41) KMT2ALMNAALDH1A1LTA4HL3MBTL1
SCHEMBL770267 0.76 ALOX5 (0.38) SMN1; SMN2KMT2AALDH1A1NPC1RAB9A
SCHEMBL771356 0.75 ACE (0.43) KDM4ESMN1; SMN2KMT2ACHRNB2CHRNA5
SCHEMBL770024 0.75 HRH3 (0.35) KDM4ELMNAALDH1A1L3MBTL1NPC1
SCHEMBL771018 0.74 ALDH1A1 (0.40) SMN1; SMN2KMT2AALDH1A1TSHROPRD1
SCHEMBL770840 0.73 ALDH1A1 (0.37) SMN1; SMN2KMT2ALMNAALDH1A1NPC1

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 KDM4E 4127/4885SMN1; SMN2 3637/4885KMT2A 3893/4885

“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.