SCHEMBL771592

SCHEMBL771592

O=C(CCl)N1CCC2CCCC=C2C1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.42
LMNA P02545 1/20 0.39
YAP1 P46937 1/20 0.38
TEAD4 Q15561 1/20 0.38
SMYD3 Q9H7B4 1/20 0.36
POLB P06746 2/20 0.34
GPX4 P36969 2/20 0.33
HTT P42858 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
MAPT P10636 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
RAB9A P51151 2/20 0.31
NPC1 O15118 1/20 0.30
MITF O75030 1/20 0.30

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
SCHEMBL771656 0.88 MAPK1 (0.36) ALDH1A1LMNAPOLBHTTSMN1; SMN2
SCHEMBL771618 0.85 CPN1 (0.35) ALDH1A1SMYD3POLBSMN1; SMN2MAPT
SCHEMBL769789 0.85 NPC1 (0.42) ALDH1A1LMNAPOLBHTTSMN1; SMN2
SCHEMBL770401 0.85 LMNA (0.39) ALDH1A1LMNAHTTSMN1; SMN2MAPT
SCHEMBL770666 0.84 RBP4 (0.44) ALDH1A1POLBSMN1; SMN2MAPTTDP1
SCHEMBL769773 0.84 HDAC3 (0.35) ALDH1A1LMNAPOLBHTTSMN1; SMN2
SCHEMBL771594 0.83 NPC1 (0.32) ALDH1A1LMNAPOLBSMN1; SMN2MAPT
SCHEMBL770397 0.83 ALDH1A1 (0.36) ALDH1A1LMNAHTTSMN1; SMN2MAPT
SCHEMBL770696 0.83 MEN1 (0.38) ALDH1A1LMNAPOLBHTTSMN1; SMN2
SCHEMBL770744 0.83 SMYD3 (0.37) ALDH1A1LMNASMYD3POLBHTT

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
EP-2439202-B1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 SALVAT LAB SA (ES) 2016-04-20 EP 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 (1 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-20120071466-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 HSD11B1, HSD17B1, HSD11B2 ALDH1A1 142/4885LMNA 3116/4885YAP1 2994/4885

“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.