SCHEMBL19078331

SCHEMBL19078331

COC(=O)C(C)(C)[C@@H](CN)c1ccc(OC)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.49
CYP26A1 O43174 1/20 0.46
AOC3 Q16853 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
SLC2A1 P11166 1/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 2/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALOX15 P16050 1/20 0.42
APEX1 P27695 1/20 0.42
MAPK1 P28482 1/20 0.42
RECQL P46063 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
MEN1 O00255 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
SLC6A2 P23975 1/20 0.42

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
SCHEMBL19087893 0.83 NPSR1 (0.44) NPSR1AOC3CA1CA2ALDH1A1
SCHEMBL19078330 0.81 ALDH1A1 (0.55) NPSR1CYP26A1SLC2A1ALDH1A1LMNA
SCHEMBL11400286 0.74 LDHA (0.53) HTTMEN1RAB9AKMT2ASLC6A4
SCHEMBL8776729 0.71 ALDH1A1 (0.49) NPSR1CYP26A1AOC3CA1CA2
SCHEMBL8776722 0.71 ALDH1A1 (0.49) NPSR1CYP26A1AOC3CA1CA2
SCHEMBL21194023 0.70 AKR1C3 (0.54) AOC3CA1CA2HTTTDP1
SCHEMBL31344401 0.70 AKR1C3 (0.54) AOC3CA1CA2HTTTDP1
SCHEMBL6826547 0.70 AOC3 (0.49) NPSR1AOC3SLC2A1ALDH1A1MAPK1
Hydrochloric Acid SCHEMBL7835535 0.69 NPSR1 (0.49) NPSR1CA1CA2ALDH1A1LMNA
Acetic Acid SCHEMBL10672569 0.69 AOC3 (0.56) AOC3ALDH1A1SMN1; SMN2ALOX15APEX1

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-9981960-B2 Pyrrolidine compound and application as melanocortin receptor agonist MITSUBISHI TANABE PHARMA CORPORATION (JP) 2018-05-29 US disclosed
US-20170190697-A1 NOVEL PYRROLIDINE COMPOUND AND APPLICATION AS MELANOCORTIN RECEPTOR AGONIST MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-07-06 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-20170190697-A1 NOVEL PYRROLIDINE COMPOUND AND APPLICATION AS MELANOCORTIN RECEPTOR AGONIST MC1R, MC5R, MC3R NPSR1 29/4885CYP26A1 1247/4885AOC3 837/4885

“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.