SCHEMBL5960440

SCHEMBL5960440

S=CC/C(=C\c1ccccc1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.49
MTNR1B P49286 2/20 0.49
CYP19A1 P11511 4/20 0.45
AKR1C1 Q04828 1/20 0.42
MAPT P10636 3/20 0.41
LMNA P02545 2/20 0.41
HTT P42858 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PRMT1 Q99873 1/20 0.39
ESR1 P03372 1/20 0.38
PLA2G1B P04054 1/20 0.38
CYP1A2 P05177 1/20 0.38

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
SCHEMBL29115655 0.82 MTNR1A (0.54) MTNR1AMTNR1BCYP19A1AKR1C1MEN1
SCHEMBL7756538 0.80 MTNR1A (0.49) MTNR1AMTNR1BCYP19A1AKR1C1MEN1
SCHEMBL7603630 0.80 MTNR1A (0.49) MTNR1AMTNR1BCYP19A1AKR1C1MEN1
SCHEMBL7603627 0.80 MTNR1A (0.49) MTNR1AMTNR1BCYP19A1AKR1C1MEN1
SCHEMBL3577074 0.77 HDAC3 (0.53) MTNR1AMTNR1BCYP19A1AKR1C1MEN1
SCHEMBL3577072 0.77 HDAC3 (0.53) MTNR1AMTNR1BCYP19A1AKR1C1MEN1
SCHEMBL3577068 0.77 HDAC3 (0.53) MTNR1AMTNR1BCYP19A1AKR1C1MEN1
SCHEMBL9284800 0.76 MTNR1A (0.45) MTNR1AMTNR1BCYP19A1AKR1C1MEN1
SCHEMBL5157146 0.75 MTNR1A (0.51) MTNR1AMTNR1BCYP19A1AKR1C1MEN1
SCHEMBL11712615 0.75 HDAC1 (0.55) MTNR1AMTNR1BCYP19A1AKR1C1

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-20120172340-A1 Compositions and Methods for Selectively Activating Human Sirtuins BIOMOL INTERNATIONAL L.P. (US) 2012-07-05 US disclosed
WO-2006004722-A2 COMPOSITIONS AND METHODS FOR SELECTIVELY ACTIVATING HUMAN SIRTUINS BIOMOL RESEARCH LABORATORIES, INC. (US) 2006-01-12 WO 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-20120172340-A1 Compositions and Methods for Selectively Activating Human Sirtuins SIRT1, SIRT7, SIRT5 MTNR1A 1215/4885MTNR1B 2375/4885CYP19A1 1276/4885

“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.