SCHEMBL13626838

SCHEMBL13626838

CCc1ccc2ccc(OC)cc2c1C(=O)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 8/20 0.53
MTNR1B P49286 3/20 0.53
NQO2 P16083 1/20 0.53
RAB9A P51151 3/20 0.50
CYP1A2 P05177 3/20 0.50
ALDH1A1 P00352 3/20 0.50
CYP2C19 P33261 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
KMT2A Q03164 2/20 0.50
LMNA P02545 2/20 0.50
PGR P06401 1/20 0.50
CYP2D6 P10635 1/20 0.50
HPGD P15428 1/20 0.50
SLC6A2 P23975 1/20 0.50
PDE4A P27815 1/20 0.50
MAPK1 P28482 1/20 0.50
HRH1 P35367 1/20 0.50
HTT P42858 1/20 0.50
SLC6A3 Q01959 1/20 0.50
PDE4D Q08499 1/20 0.50

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
SCHEMBL13626145 0.90 MTNR1A (0.52) MTNR1AMTNR1BNQO2RAB9ACYP1A2
SCHEMBL3911888 0.89 MTNR1A (0.51) MTNR1AMTNR1BNQO2RAB9ACYP1A2
SCHEMBL13626837 0.87 MTNR1A (0.49) MTNR1AMTNR1BNQO2RAB9ACYP1A2
SCHEMBL13612557 0.86 HPGD (0.51) MTNR1AMTNR1BNQO2RAB9ACYP1A2
SCHEMBL3914511 0.83 ALDH1A1 (0.60) MTNR1AMTNR1BNQO2RAB9ACYP1A2
SCHEMBL4318446 0.82 CYP1A2 (0.47) MTNR1AMTNR1BNQO2RAB9ACYP1A2
SCHEMBL13612573 0.81 ALDH1A1 (0.58) MTNR1AMTNR1BNQO2RAB9ACYP1A2
SCHEMBL13612562 0.80 PTGS1 (0.52) MTNR1AMTNR1BNQO2RAB9ACYP1A2
SCHEMBL13626146 0.78 MTNR1A (0.48) MTNR1AMTNR1BNQO2RAB9ACYP1A2
SCHEMBL13612563 0.78 HPGD (0.48) MTNR1ARAB9ACYP1A2ALDH1A1CYP2C19

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.