SCHEMBL771063

SCHEMBL771063

O=C(NCc1ccco1)OCCCC(=O)N1CCCC2CCCCC21

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
HSD17B10 Q99714 2/20 0.43
ALOX15 P16050 1/20 0.43
MAPK1 P28482 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HPGD P15428 4/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
HTT P42858 1/20 0.40
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP2C9 P11712 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL771062 1.00 ALDH1A1 (0.45) ALDH1A1HSD17B10ALOX15MAPK1NPSR1
SCHEMBL770058 0.83 EPHX2 (0.58) ALDH1A1HSD17B10ALOX15MAPK1NPSR1
SCHEMBL795242 0.82 ALDH1A1 (0.45) ALDH1A1HSD17B10ALOX15MAPK1NPSR1
SCHEMBL770245 0.82 EPHX2 (0.52) ALDH1A1HSD17B10ALOX15MAPK1NPSR1
SCHEMBL771345 0.75 EPHX2 (0.57) ALDH1A1HSD17B10ALOX15MAPK1NPSR1
SCHEMBL772462 0.74 ALDH1A1 (0.53) ALDH1A1HPGDL3MBTL1SMN1; SMN2RAB9A
SCHEMBL771143 0.74 FKBP1A (0.44) ALDH1A1HPGDMEN1KMT2AHTT
SCHEMBL771144 0.74 FKBP1A (0.44) ALDH1A1HPGDMEN1KMT2AHTT
SCHEMBL772325 0.72 RAB9A (0.53) ALDH1A1HPGDL3MBTL1TDP1SMN1; SMN2
SCHEMBL771521 0.71 NPC1 (0.57) HPGDMEN1KMT2AHTTSMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 142/4885HSD17B10 19/4885ALOX15 246/4885

“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.