SCHEMBL769837

SCHEMBL769837

CCOC(=O)CN(CCc1ccccn1)C(=O)CCCC(=O)N1CCCC2CCCC=C21

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.38
MAPK1 P28482 1/20 0.38
KDM4E B2RXH2 5/20 0.38
POLB P06746 2/20 0.38
GAA P10253 1/20 0.38
LMNA P02545 1/20 0.37
FKBP1A P62942 1/20 0.36
RAF1 P04049 2/20 0.35
MAP2K1 Q02750 2/20 0.35
HIF1A Q16665 1/20 0.35
TDP1 Q9NUW8 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
SCHEMBL770279 0.85 ALDH1A1 (0.41) ALDH1A1MAPK1POLBLMNA
SCHEMBL770024 0.84 HRH3 (0.35) ALDH1A1KDM4EGAALMNA
SCHEMBL770840 0.83 ALDH1A1 (0.37) ALDH1A1POLBLMNAFKBP1A
SCHEMBL770267 0.83 ALOX5 (0.38) ALDH1A1MAPK1POLBFKBP1A
SCHEMBL772068 0.82 SMN1; SMN2 (0.46) ALDH1A1KDM4E
SCHEMBL770669 0.81 KCNH2 (0.38) ALDH1A1MAPK1POLBLMNATDP1
SCHEMBL769836 0.81 FKBP1A (0.41) ALDH1A1MAPK1KDM4EPOLBGAA
SCHEMBL771071 0.80 TPSAB1 (0.38) ALDH1A1KDM4EGAA
SCHEMBL772447 0.80 ALDH1A1 (0.41) ALDH1A1MAPK1LMNA
SCHEMBL770041 0.77 RAB9A (0.42) ALDH1A1POLBGAALMNATDP1

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 142/4885MAPK1 410/4885KDM4E 4127/4885

“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.