SCHEMBL771329

SCHEMBL771329

O=C(NCCC(=O)N1CCC2CCCCC2C1)c1ccco1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.55
RAB9A P51151 4/20 0.54
NPC1 O15118 3/20 0.52
ALDH1A1 P00352 5/20 0.48
HPGD P15428 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
PKM P14618 1/20 0.47
KMT2A Q03164 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL770493 0.81 KDM4E (0.53) RAB9AALDH1A1SMN1; SMN2KMT2A
SCHEMBL772325 0.81 RAB9A (0.53) TDP1RAB9ANPC1ALDH1A1HPGD
SCHEMBL771597 0.80 ALDH1A1 (0.49) ALDH1A1HPGDSMN1; SMN2PKMKMT2A
SCHEMBL770994 0.78 RAB9A (0.55) RAB9ANPC1ALDH1A1HPGDSMN1; SMN2
SCHEMBL771711 0.77 LMNA (0.49) ALDH1A1HPGDSMN1; SMN2PKMKMT2A
SCHEMBL770891 0.76 KMT2A (0.49) ALDH1A1HPGDPKMKMT2AL3MBTL1
SCHEMBL770442 0.75 HSD11B1 (0.42) KMT2A
SCHEMBL772462 0.75 ALDH1A1 (0.53) RAB9ANPC1ALDH1A1HPGDSMN1; SMN2
SCHEMBL770516 0.74 SMN1; SMN2 (0.49) RAB9ANPC1ALDH1A1HPGDSMN1; SMN2
SCHEMBL771920 0.73 ITGB3 (0.48) SMN1; 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 TDP1 135/4885RAB9A 2187/4885NPC1 97/4885
US-20120071466-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 HSD11B1, HSD17B1, HSD11B2 TDP1 134/4885RAB9A 2217/4885NPC1 104/4885

“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.