SCHEMBL19085086

SCHEMBL19085086

CCc1ccc(CC(=O)OC(C)(C)C)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.47
MTNR1B P49286 1/20 0.47
ALDH1A1 P00352 2/20 0.44
CYP4F2 P78329 1/20 0.42
CYP4A11 Q02928 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.41
LMNA P02545 3/20 0.41
RIPK1 Q13546 1/20 0.41
RIPK3 Q9Y572 1/20 0.41
PLK1 P53350 1/20 0.40
MAPT P10636 3/20 0.40
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
HPGD P15428 2/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL13308118 0.85 CYP4F2 (0.47) MTNR1AMTNR1BALDH1A1CYP4F2CYP4A11
SCHEMBL1283948 0.85 CA2 (0.50) MTNR1AMTNR1BCYP4F2CYP4A11LMNA
SCHEMBL21554546 0.85 CA2 (0.50) MTNR1AMTNR1BALDH1A1LMNAHPGD
SCHEMBL7517689 0.85 HPGD (0.50) MTNR1AMTNR1BCYP4F2CYP4A11RIPK1
SCHEMBL9895432 0.83 CA12 (0.53) ALDH1A1SMN1; SMN2LMNAMAPTHPGD
SCHEMBL5533824 0.83 MTNR1A (0.46) MTNR1AMTNR1BALDH1A1SMN1; SMN2LMNA
SCHEMBL21880654 0.83 MTNR1A (0.46) MTNR1AMTNR1BCYP4F2CYP4A11SMN1; SMN2
SCHEMBL5866843 0.83 LOXL2 (0.46) MTNR1AMTNR1BALDH1A1CYP4F2CYP4A11
SCHEMBL16447010 0.83 MTNR1A (0.46) MTNR1AMTNR1BCYP4F2CYP4A11SMN1; SMN2
SCHEMBL479237 0.83 MTNR1A (0.46) MTNR1AMTNR1BALDH1A1CYP4F2CYP4A11

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-20170189390-A1 TETRAHYDROISOQUINOLIN-1-ONE DERIVATIVE OR SALT THEREOF SELDAR PHARMA INC. (US) 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-20170189390-A1 TETRAHYDROISOQUINOLIN-1-ONE DERIVATIVE OR SALT THEREOF BRS3, BDKRB2, NTSR2 MTNR1A 173/4885MTNR1B 43/4885ALDH1A1 4647/4885

“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.