SCHEMBL4167334

SCHEMBL4167334

COc1cccc(NCCC[O])c1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.63
MTNR1B P49286 1/20 0.63
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
POLB P06746 1/20 0.51
ICMT O60725 3/20 0.48
RAB9A P51151 1/20 0.48
TP53 P04637 1/20 0.47
TSHR P16473 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
MAPT P10636 2/20 0.47
MAPK1 P28482 1/20 0.47
KDM4E B2RXH2 1/20 0.47
HTT P42858 1/20 0.47
GAA P10253 1/20 0.47
HPGD P15428 2/20 0.47
USP2 O75604 1/20 0.47
ALDH1A1 P00352 1/20 0.47

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
SCHEMBL4167752 0.91 MTNR1A (0.65) MTNR1AMTNR1BMEN1KMT2APOLB
SCHEMBL11114174 0.89 MTNR1A (0.66) MTNR1AMTNR1BMEN1KMT2APOLB
SCHEMBL12520413 0.84 MTNR1B (0.60) MTNR1AMTNR1BMEN1KMT2APOLB
SCHEMBL11115757 0.84 MAPT (0.61) MTNR1AMTNR1BMEN1KMT2AICMT
SCHEMBL10126711 0.83 MTNR1A (0.63) MTNR1AMTNR1BMEN1KMT2APOLB
SCHEMBL1493172 0.83 MTNR1A (0.59) MTNR1AMTNR1BMEN1KMT2APOLB
SCHEMBL7505384 0.83 MTNR1B (0.59) MTNR1AMTNR1BMEN1KMT2APOLB
SCHEMBL11117500 0.83 MTNR1A (0.59) MTNR1AMTNR1BMEN1KMT2APOLB
SCHEMBL8557540 0.83 MTNR1A (0.63) MTNR1AMTNR1BMEN1KMT2APOLB
SCHEMBL2090211 0.82 MTNR1B (0.62) MTNR1AMTNR1BMEN1KMT2APOLB

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-20090088438-A1 NEW TYROSINE DERIVATIVES AS PPARy MODULATORS LABORATORIOS SALVAT, S.A. (ES) 2009-04-02 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-20090088438-A1 NEW TYROSINE DERIVATIVES AS PPARy MODULATORS PPARG, PPARD, TYRO3 MTNR1A 79/4885MTNR1B 131/4885MEN1 4879/4885

“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.