SCHEMBL3070766

SCHEMBL3070766

COCCCNc1c(C(=O)O)cnn1-c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR4A3 Q92570 1/20 0.50
ALDH1A1 P00352 5/20 0.48
RAB9A P51151 3/20 0.46
HTT P42858 1/20 0.46
HPGD P15428 1/20 0.44
NPC1 O15118 2/20 0.44
POLB P06746 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MAPT P10636 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PKM P14618 1/20 0.44
MAPK14 Q16539 1/20 0.44
MAPK1 P28482 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43
KEAP1 Q14145 1/20 0.43
NFE2L2 Q16236 1/20 0.43

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
SCHEMBL2894568 0.88 ALDH1A1 (0.66) ALDH1A1RAB9AHTTHPGDSMN1; SMN2
SCHEMBL3077126 0.85 NR4A3 (0.51) NR4A3ALDH1A1HPGDPOLBL3MBTL1
SCHEMBL3082725 0.84 NR4A3 (0.50) NR4A3ALDH1A1HPGDPOLBL3MBTL1
SCHEMBL3063097 0.82 HSD11B1 (0.53)
SCHEMBL3076216 0.82 NR4A3 (0.54) NR4A3ALDH1A1HPGDPOLBL3MBTL1
SCHEMBL3063101 0.81 CNR2 (0.49) ALDH1A1HTTSMN1; SMN2NPSR1
SCHEMBL1334269 0.80 NR4A3 (0.62) NR4A3ALDH1A1RAB9AHTTHPGD
SCHEMBL13962516 0.78 FPR1 (0.41) ALDH1A1POLBMAPK14
SCHEMBL1423148 0.78 NR4A3 (0.63) NR4A3ALDH1A1HPGDPOLBL3MBTL1
SCHEMBL3062669 0.77 HPGD (0.56) NR4A3ALDH1A1HPGDPOLBL3MBTL1

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-7790711-B2 Inhibitors of 11β-Hydroxysteroid Dehydrogenase HOFFMANN-LA ROCHE INC. (US) 2010-09-07 US disclosed
US-20090023709-A1 Inhibitors of 11B-Hyrdoxysteroid Dehydrogenase GILLESPIE PAUL 2009-01-22 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-20090023709-A1 Inhibitors of 11B-Hyrdoxysteroid Dehydrogenase HSD17B1, HSD17B2, HSD11B1 NR4A3 3233/4885ALDH1A1 64/4885RAB9A 1754/4885

“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.