SCHEMBL3280705

SCHEMBL3280705

CC(=O)NCc1c(C(C2=C(O)C(C)(c3ccc(C)cc3)C2=O)c2ccccc2)[nH]c2cc(C)ccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 5/20 0.38
MTNR1B P49286 5/20 0.38
CYP19A1 P11511 2/20 0.37
RXFP1 Q9HBX9 2/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
EGFR P00533 1/20 0.32
MLKL Q8NB16 1/20 0.32
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
CYP2C19 P33261 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL3280740 0.97 MTNR1A (0.38) MTNR1AMTNR1BCYP19A1RXFP1TP53
SCHEMBL3284735 0.93 MTNR1A (0.37) MTNR1AMTNR1BCYP19A1RXFP1TP53
SCHEMBL3280580 0.93 MTNR1A (0.45) MTNR1AMTNR1BCYP19A1MAPTKMT2A
SCHEMBL3280434 0.87 CYP19A1 (0.35) MTNR1AMTNR1BCYP19A1KMT2AKDM4E
SCHEMBL3281079 0.85 KMT2A (0.35) MTNR1AMTNR1BCYP19A1MAPTKMT2A
SCHEMBL8208702 0.84 MTNR1A (0.38) MTNR1AMTNR1BCYP19A1RXFP1TP53
SCHEMBL4492136 0.84 MTNR1A (0.38) MTNR1AMTNR1BCYP19A1RXFP1TP53
SCHEMBL4510087 0.84 MTNR1A (0.38) MTNR1AMTNR1BCYP19A1RXFP1TP53
SCHEMBL4492145 0.84 MTNR1A (0.38) MTNR1AMTNR1BCYP19A1RXFP1TP53
SCHEMBL3284276 0.84 CYP19A1 (0.34) 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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7705034-B2 Vinylogous acid derivatives HOFFMANN-LA ROCHE INC. (US) 2010-04-27 US claimed
EP-2074090-A1 VINYLOGOUS ACIDS DERIVATIVES AS CHYMASE INHIBITORS F. Hoffmann-Roche AG (CH) 2009-07-01 EP claimed
US-20080096953-A1 Vinylogous acid derivatives HOFFMANN-LA ROCHE INC. 2008-04-24 US claimed
WO-2008043698-A1 VINYLOGOUS ACIDS DERIVATIVES AS CHYMASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2008-04-17 WO claimed
US-7705034-B2 Vinylogous acid derivatives HOFFMANN-LA ROCHE INC. (US) 2010-04-27 US disclosed
US-7705034-B2 Vinylogous acid derivatives HOFFMANN-LA ROCHE INC. (US) 2010-04-27 US disclosed
US-7705034-B2 Vinylogous acid derivatives HOFFMANN-LA ROCHE INC. (US) 2010-04-27 US disclosed
EP-2074090-A1 VINYLOGOUS ACIDS DERIVATIVES AS CHYMASE INHIBITORS F. Hoffmann-Roche AG (CH) 2009-07-01 EP disclosed
US-20080096953-A1 Vinylogous acid derivatives HOFFMANN-LA ROCHE INC. 2008-04-24 US disclosed
US-20080096953-A1 Vinylogous acid derivatives HOFFMANN-LA ROCHE INC. 2008-04-24 US disclosed
US-20080096953-A1 Vinylogous acid derivatives HOFFMANN-LA ROCHE INC. 2008-04-24 US disclosed
WO-2008043698-A1 VINYLOGOUS ACIDS DERIVATIVES AS CHYMASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2008-04-17 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-20080096953-A1 Vinylogous acid derivatives CMA1, TPSG1, GAA MTNR1A 1303/4885MTNR1B 1821/4885CYP19A1 1050/4885

“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.