SCHEMBL771345

SCHEMBL771345

O=C(NCCCNC(=O)N1CCCC2CCCCC21)NCc1ccco1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.57
TDP1 Q9NUW8 2/20 0.56
ALDH1A1 P00352 2/20 0.52
ALOX15 P16050 1/20 0.45
MAPK1 P28482 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
HSD17B10 Q99714 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
FPR3 P25089 1/20 0.43
FPR2 P25090 1/20 0.43
HTT P42858 1/20 0.42
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.42
TP53 P04637 1/20 0.42

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
SCHEMBL770058 0.88 EPHX2 (0.58) EPHX2TDP1ALDH1A1ALOX15MAPK1
SCHEMBL770245 0.86 EPHX2 (0.52) EPHX2TDP1ALDH1A1ALOX15MAPK1
SCHEMBL770423 0.83 FKBP1A (0.55) EPHX2ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL770378 0.82 EPHX2 (0.56) EPHX2TDP1ALDH1A1ALOX15MAPK1
SCHEMBL771740 0.77 NPC1 (0.45) EPHX2TDP1NPSR1NPC1RAB9A
SCHEMBL769682 0.77 NPC1 (0.69) EPHX2ALDH1A1NPSR1NPC1RAB9A
SCHEMBL771062 0.75 ALDH1A1 (0.45) TDP1ALDH1A1ALOX15MAPK1NPSR1
SCHEMBL795242 0.75 ALDH1A1 (0.45) TDP1ALDH1A1ALOX15MAPK1NPSR1
SCHEMBL771063 0.75 ALDH1A1 (0.45) TDP1ALDH1A1ALOX15MAPK1NPSR1
SCHEMBL771332 0.74 NPC1 (0.44) EPHX2TDP1NPSR1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130303522-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 LABORATORIOS SALVAT, S.A. (ES) 2013-11-14 US disclosed
US-20120071466-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 LABORATORIOS SALVAT, S.A. (ES) 2012-03-22 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 EPHX2 1149/4885TDP1 135/4885ALDH1A1 144/4885
US-20120071466-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 HSD11B1, HSD17B1, HSD11B2 EPHX2 1153/4885TDP1 134/4885ALDH1A1 142/4885

“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.