SCHEMBL4492145

SCHEMBL4492145

CC(=O)NCc1c(C(C2=C(O)C(C)(c3ccccc3)OC2=O)c2ccccc2)[nH]c2cc(C)ccc12

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.38
MTNR1B P49286 4/20 0.38
CYP19A1 P11511 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HSD17B10 Q99714 1/20 0.33
POLB P06746 1/20 0.33
EGFR P00533 1/20 0.32
TP53 P04637 3/20 0.32
MAPT P10636 2/20 0.32
RXFP1 Q9HBX9 1/20 0.32
MLKL Q8NB16 1/20 0.32
RAB9A P51151 2/20 0.32
ALDH1A1 P00352 1/20 0.32
ELANE P08246 1/20 0.31

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
SCHEMBL4492136 1.00 MTNR1A (0.38) MTNR1AMTNR1BCYP19A1SMN1; SMN2KDM4E
SCHEMBL4510087 1.00 MTNR1A (0.38) MTNR1AMTNR1BCYP19A1SMN1; SMN2KDM4E
SCHEMBL3280740 0.87 MTNR1A (0.38) MTNR1AMTNR1BCYP19A1SMN1; SMN2KDM4E
SCHEMBL4499068 0.85 MTNR1A (0.37) MTNR1AMTNR1BCYP19A1SMN1; SMN2KDM4E
SCHEMBL4499073 0.85 MTNR1A (0.37) MTNR1AMTNR1BCYP19A1SMN1; SMN2KDM4E
SCHEMBL3280705 0.84 MTNR1A (0.38) MTNR1AMTNR1BCYP19A1SMN1; SMN2KDM4E
SCHEMBL4504558 0.84 MLKL (0.41) CYP19A1KDM4EHSD17B10TP53MAPT
SCHEMBL4504554 0.84 MLKL (0.41) CYP19A1KDM4EHSD17B10TP53MAPT
SCHEMBL8203579 0.83 MTNR1A (0.38) MTNR1AMTNR1BCYP19A1SMN1; SMN2KDM4E
SCHEMBL4492579 0.82 MTNR1A (0.48) MTNR1AMTNR1BCYP19A1KDM4EEGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7612099-B2 Vinylogous acid derivatives HOFFMANN-LA ROCHE INC. (US) 2009-11-03 US disclosed
EP-1957483-A1 NOVEL VINYLOGOUS ACIDS DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-08-20 EP disclosed
WO-2007063010-A1 NOVEL VINYLOGOUS ACIDS DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-06-07 WO disclosed
US-20070129421-A1 Vinylogous acid derivatives HOFFMANN-LA ROCHE INC. 2007-06-07 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-20070129421-A1 Vinylogous acid derivatives CMA1, TPSG1, TPSAB1 MTNR1A 454/4885MTNR1B 756/4885CYP19A1 1030/4885

“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.