SCHEMBL771986

SCHEMBL771986

O=C(CCCc1ccccc1)NCCC(=O)N1CCCC2CCCC=C21

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.52
ALDH1A1 P00352 1/20 0.52
KMT2A Q03164 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.44
LMNA P02545 2/20 0.44
RAB9A P51151 1/20 0.44
EPHX2 P34913 1/20 0.44
PKM P14618 1/20 0.44
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
DPP4 P27487 1/20 0.42
DPP8 Q6V1X1 1/20 0.42
DPP7 Q9UHL4 1/20 0.42
NAMPT P43490 1/20 0.42
TRPV1 Q8NER1 1/20 0.42
TAAR1 Q96RJ0 1/20 0.41

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
SCHEMBL771993 0.95 MEN1 (0.51) MEN1ALDH1A1KMT2AL3MBTL1LMNA
SCHEMBL771368 0.94 HPGD (0.50) MEN1ALDH1A1KMT2AL3MBTL1LMNA
SCHEMBL770260 0.89 ALDH1A1 (0.46) ALDH1A1KMT2AL3MBTL1LMNAEPHX2
SCHEMBL769890 0.84 ATM (0.49) MEN1ALDH1A1KMT2ALMNAPKM
SCHEMBL770429 0.83 EPHX1 (0.47) ALDH1A1LMNAEPHX2HPGDDPP4
SCHEMBL770800 0.82 DPP4 (0.47) ALDH1A1L3MBTL1RAB9ADPP4
SCHEMBL770954 0.82 ALDH1A1 (0.42) MEN1ALDH1A1KMT2ALMNAPKM
SCHEMBL770673 0.82 MTNR1A (0.34) ALDH1A1HPGD
SCHEMBL771680 0.81 DPP4 (0.32) ALDH1A1KMT2ALMNADPP4
SCHEMBL769804 0.81 SIGMAR1 (0.47) ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2439202-B1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 SALVAT LAB SA (ES) 2016-04-20 EP disclosed
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 MEN1 827/4885ALDH1A1 144/4885KMT2A 3868/4885
US-20120071466-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 HSD11B1, HSD17B1, HSD11B2 MEN1 823/4885ALDH1A1 142/4885KMT2A 3893/4885

“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.