SCHEMBL772447

SCHEMBL772447

CCOC(=O)CCN(Cc1ccccc1)C(=O)CCCC(=O)N1CCCC2CCCC=C21

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
ALOX5 P09917 1/20 0.40
NPC1 O15118 3/20 0.39
TSHR P16473 2/20 0.39
OPRM1 P35372 1/20 0.39
LMNA P02545 1/20 0.39
ALOX15 P16050 1/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
LTA4H P09960 2/20 0.38
RAB9A P51151 1/20 0.38
FAAH O00519 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.36

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
SCHEMBL770279 0.87 ALDH1A1 (0.41) ALDH1A1ALOX5NPC1LMNAMAPK1
SCHEMBL771357 0.86 OPRM1 (0.41) ALDH1A1ALOX5NPC1TSHROPRM1
SCHEMBL770041 0.84 RAB9A (0.42) ALDH1A1NPC1TSHRLMNAALOX15
SCHEMBL770024 0.80 HRH3 (0.35) ALDH1A1ALOX5NPC1LMNACYP3A4
SCHEMBL769726 0.80 KDM4E (0.41) ALDH1A1NPC1TSHROPRM1LMNA
SCHEMBL770267 0.80 ALOX5 (0.38) ALDH1A1ALOX5NPC1TSHROPRM1
SCHEMBL770840 0.80 ALDH1A1 (0.37) ALDH1A1NPC1LMNACYP3A4CYP2C19
SCHEMBL772446 0.79 NPC1 (0.45) ALDH1A1ALOX5NPC1TSHROPRM1
SCHEMBL770669 0.78 KCNH2 (0.38) ALDH1A1LMNAMAPK1L3MBTL1
SCHEMBL772068 0.77 SMN1; SMN2 (0.46) ALDH1A1NPC1CYP3A4CYP2D6CYP2C9

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 142/4885ALOX5 833/4885NPC1 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.