SCHEMBL770820

SCHEMBL770820

CCC(C)NC(=O)NCC(=O)N1CCC2CCCC=C2C1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
EPHX1 P07099 1/20 0.36
GAA P10253 2/20 0.36
HTT P42858 2/20 0.35
KMT2A Q03164 3/20 0.33
TLR9 Q9NR96 1/20 0.33
TLR8 Q9NR97 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
KDM4E B2RXH2 3/20 0.33
EPHX2 P34913 2/20 0.33
LMNA P02545 3/20 0.32
TP53 P04637 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
DPP4 P27487 1/20 0.32
DPP8 Q6V1X1 1/20 0.32
DPP7 Q9UHL4 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
ASAH1 Q13510 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
SCHEMBL770227 0.91 LMNA (0.34) ALDH1A1KMT2ALMNASMN1; SMN2DPP4
SCHEMBL771027 0.85 PPID (0.35) ALDH1A1KMT2ALMNASMN1; SMN2
SCHEMBL772126 0.81 ALDH1A1 (0.36) ALDH1A1HTTKMT2ALMNADPP8
SCHEMBL771006 0.79 EPHX1 (0.46) ALDH1A1EPHX1KDM4EEPHX2TP53
SCHEMBL15380799 0.79 EPHX1 (0.46) ALDH1A1EPHX1KDM4EEPHX2TP53
SCHEMBL770861 0.78 EPHX1 (0.38) EPHX1KMT2AEPHX2LMNA
SCHEMBL770365 0.77 BRD4 (0.44) ALDH1A1EPHX1KMT2AEPHX2TP53
SCHEMBL770993 0.77 PPID (0.48) EPHX1KMT2A
SCHEMBL15378143 0.76 NPC1 (0.47) ALDH1A1EPHX1HTTEPHX2LMNA
SCHEMBL770460 0.76 EPHX2 (0.45) ALDH1A1EPHX1KMT2AEPHX2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8822452-B2 Inhibitor compounds of 11-beta-hydroxysteroid dehydrogenase type 1 LABORATORIOS SALVAT, S.A. (ES) 2014-09-02 US disclosed
US-20130303522-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 LABORATORIOS SALVAT, S.A. (ES) 2013-11-14 US disclosed
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 (2 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-20130303522-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 HSD11B1, HSD17B1, HSD11B2 ALDH1A1 144/4885EPHX1 227/4885GAA 751/4885
US-20120071466-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 HSD11B1, HSD17B1, HSD11B2 ALDH1A1 142/4885EPHX1 232/4885GAA 746/4885

“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.