SCHEMBL771006

SCHEMBL771006

O=C(NCC(=O)N1CCC2CCCC=C2C1)NC1CCCCCC1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 10/20 0.46
RAB9A P51151 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
NPC1 O15118 2/20 0.46
EPHX2 P34913 6/20 0.42
ALDH1A1 P00352 3/20 0.41
MAPT P10636 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
HPGD P15428 2/20 0.39
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL15380799 1.00 EPHX1 (0.46) EPHX1RAB9ASMN1; SMN2NPC1EPHX2
SCHEMBL771342 0.89 ALDH1A1 (0.40) EPHX1RAB9ASMN1; SMN2NPC1EPHX2
SCHEMBL770476 0.88 ALDH1A1 (0.38) EPHX1RAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL771027 0.84 PPID (0.35) SMN1; SMN2ALDH1A1MAPTTDP1TSHR
SCHEMBL770227 0.83 LMNA (0.34) SMN1; SMN2ALDH1A1MAPTTDP1MAPK1
SCHEMBL772126 0.82 ALDH1A1 (0.36) RAB9AALDH1A1TSHR
SCHEMBL770365 0.80 BRD4 (0.44) EPHX1RAB9ASMN1; SMN2NPC1EPHX2
SCHEMBL770993 0.79 PPID (0.48) EPHX1HPGD
SCHEMBL770820 0.79 ALDH1A1 (0.36) EPHX1SMN1; SMN2EPHX2ALDH1A1TP53
SCHEMBL771410 0.79 ALDH1A1 (0.35) EPHX1SMN1; SMN2EPHX2ALDH1A1MAPT

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 EPHX1 227/4885RAB9A 2187/4885SMN1; SMN2 3653/4885
US-20120071466-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 HSD11B1, HSD17B1, HSD11B2 EPHX1 232/4885RAB9A 2217/4885SMN1; SMN2 3637/4885

“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.