SCHEMBL772325

SCHEMBL772325

O=C(NCCC(=O)N1CCCC2CCCCC21)c1ccco1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.53
NPC1 O15118 2/20 0.53
TDP1 Q9NUW8 1/20 0.51
ALDH1A1 P00352 5/20 0.49
HPGD P15428 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
PKM P14618 1/20 0.48
ACE P12821 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.47

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
SCHEMBL772462 0.93 ALDH1A1 (0.53) RAB9ANPC1ALDH1A1HPGDSMN1; SMN2
SCHEMBL770245 0.81 EPHX2 (0.52) TDP1ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL770799 0.81 DPP4 (0.60) RAB9ANPC1ALDH1A1SMN1; SMN2ACE
SCHEMBL771329 0.81 TDP1 (0.55) RAB9ANPC1TDP1ALDH1A1HPGD
SCHEMBL770920 0.80 RAB9A (0.54) RAB9ANPC1ALDH1A1HPGDSMN1; SMN2
SCHEMBL770259 0.79 HSD11B1 (0.59) RAB9ANPC1ALDH1A1HPGDSMN1; SMN2
SCHEMBL771367 0.78 PREP (0.55) RAB9ANPC1ALDH1A1HPGDSMN1; SMN2
SCHEMBL770428 0.78 DPP4 (0.49) RAB9ANPC1ALDH1A1HPGDSMN1; SMN2
SCHEMBL770967 0.77 RAB9A (0.56) RAB9ANPC1ALDH1A1HPGDSMN1; SMN2
SCHEMBL770953 0.76 ALOX12 (0.48) RAB9ANPC1ALDH1A1HPGDSMN1; SMN2

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 RAB9A 2187/4885NPC1 97/4885TDP1 135/4885
US-20120071466-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 HSD11B1, HSD17B1, HSD11B2 RAB9A 2217/4885NPC1 104/4885TDP1 134/4885

“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.