SCHEMBL770981

SCHEMBL770981

O=C(CCCCN1C(=O)c2cccc(O)c2C1=O)N1CCC2CCCC=C2C1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.52
HPGD P15428 8/20 0.52
MAPT P10636 5/20 0.52
LMNA P02545 4/20 0.52
MAPK1 P28482 3/20 0.52
HTT P42858 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.49
KDM4E B2RXH2 4/20 0.44
ACHE P22303 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
HSD17B10 Q99714 2/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 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
SCHEMBL771730 0.97 SMN1; SMN2 (0.52) ALDH1A1HPGDMAPTLMNAMAPK1
SCHEMBL770679 0.90 ALDH1A1 (0.64) ALDH1A1HPGDMAPTLMNAMAPK1
SCHEMBL770464 0.88 ALDH1A1 (0.43) ALDH1A1HPGDMAPTLMNAMAPK1
SCHEMBL771359 0.87 SMN1; SMN2 (0.52) ALDH1A1HPGDMAPTLMNAMAPK1
SCHEMBL769681 0.86 SMN1; SMN2 (0.65) ALDH1A1HPGDMAPTLMNAMAPK1
SCHEMBL771256 0.83 MAPK1 (0.50) ALDH1A1HPGDMAPTLMNAMAPK1
SCHEMBL770301 0.82 MAPK1 (0.64) ALDH1A1HPGDMAPTLMNAMAPK1
SCHEMBL771664 0.82 ALDH1A1 (0.49) ALDH1A1HPGDMAPTLMNAMAPK1
SCHEMBL770065 0.81 ALDH1A1 (0.45) ALDH1A1HPGDMAPTLMNAMAPK1
SCHEMBL770963 0.81 ALDH1A1 (0.51) ALDH1A1HPGDMAPTLMNAMAPK1

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 ALDH1A1 144/4885HPGD 50/4885MAPT 618/4885
US-20120071466-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 HSD11B1, HSD17B1, HSD11B2 ALDH1A1 142/4885HPGD 50/4885MAPT 638/4885

“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.