SCHEMBL13626832

SCHEMBL13626832

COc1ccc2cc(C(=O)c3ccccc3)cc(CC=O)c2c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 11/20 0.65
MTNR1B P49286 3/20 0.48
NQO2 P16083 1/20 0.48
RAB9A P51151 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
KMT2A Q03164 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CYP1A2 P05177 4/20 0.45
ALDH1A1 P00352 3/20 0.45
CYP2C19 P33261 3/20 0.45
HPGD P15428 2/20 0.45
LMNA P02545 1/20 0.45
PGR P06401 1/20 0.45
CYP2D6 P10635 1/20 0.45
SLC6A2 P23975 1/20 0.45
PDE4A P27815 1/20 0.45
MAPK1 P28482 1/20 0.45
HRH1 P35367 1/20 0.45
HTT P42858 1/20 0.45
SLC6A3 Q01959 1/20 0.45

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
SCHEMBL3913720 0.85 MTNR1A (0.68) MTNR1AMTNR1BNQO2RAB9ASMN1; SMN2
SCHEMBL13626837 0.84 MTNR1A (0.49) MTNR1AMTNR1BNQO2RAB9ASMN1; SMN2
SCHEMBL13626146 0.83 MTNR1A (0.48) MTNR1AMTNR1BNQO2RAB9ASMN1; SMN2
SCHEMBL13612551 0.80 MTNR1A (0.62) MTNR1AMTNR1BNQO2RAB9ASMN1; SMN2
SCHEMBL8526049 0.79 MTNR1A (1.00) MTNR1AMTNR1BNQO2
SCHEMBL8961221 0.78 MTNR1A (0.80) MTNR1AMTNR1BNQO2
SCHEMBL4321154 0.78 MTNR1A (0.59) MTNR1AMTNR1BNQO2RAB9ASMN1; SMN2
SCHEMBL4317050 0.78 MTNR1A (0.59) MTNR1AMTNR1BNQO2RAB9ASMN1; SMN2
SCHEMBL8961115 0.78 MTNR1A (0.80) MTNR1AMTNR1BNQO2
SCHEMBL8961126 0.78 MTNR1A (0.84) MTNR1AMTNR1BNQO2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090281154-A1 Ophthalmic Compositions for Treating Ocular Hypertension MERCK SHARP & DOHME CORP. 2009-11-12 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-20090281154-A1 Ophthalmic Compositions for Treating Ocular Hypertension KCNN1, KCNN3, KCNN2 MTNR1A 357/4885MTNR1B 345/4885NQO2 836/4885

“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.