SCHEMBL4491345

SCHEMBL4491345

CC(=O)OCCc1c(C(C2=C(O)C(CC(C)C)OC2=O)c2ccccc2)[nH]c2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 6/20 0.40
MTNR1B P49286 6/20 0.40
CYP19A1 P11511 8/20 0.40
KDM4E B2RXH2 2/20 0.37
HPGD P15428 2/20 0.37
HSD17B10 Q99714 2/20 0.37
RAD52 P43351 1/20 0.34
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MCL1 Q07820 2/20 0.33

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
SCHEMBL1376767 0.86 MTNR1A (0.58) MTNR1AMTNR1BCYP19A1KDM4EHPGD
SCHEMBL1376766 0.85 CYP19A1 (0.40) MTNR1AMTNR1BCYP19A1KDM4EHPGD
SCHEMBL4498964 0.81 MTNR1A (0.42) MTNR1AMTNR1BCYP19A1KDM4EHPGD
SCHEMBL4502803 0.80 PARP1 (0.33) MTNR1AMTNR1BCYP19A1KDM4EHSD17B10
SCHEMBL4502286 0.75 MTNR1A (0.58) MTNR1AMTNR1BCYP19A1HPGDKMT2A
SCHEMBL4487519 0.75 MTNR1A (0.39) MTNR1AMTNR1BCYP19A1KDM4EHPGD
SCHEMBL4501352 0.67 MTNR1A (0.52) MTNR1AMTNR1BKDM4EHPGDHSD17B10
SCHEMBL4499087 0.67 CYP19A1 (0.42) MTNR1AMTNR1BCYP19A1KDM4EHSD17B10
SCHEMBL4508866 0.67 MTNR1A (0.48) MTNR1AMTNR1BHPGDKMT2AALDH1A1
SCHEMBL4487207 0.67 MTNR1A (0.49) MTNR1AMTNR1BCYP19A1HPGDKMT2A

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 9 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
US-7612099-B2 Vinylogous acid derivatives HOFFMANN-LA ROCHE INC. (US) 2009-11-03 US disclosed
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
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
US-20070129421-A1 Vinylogous acid derivatives HOFFMANN-LA ROCHE INC. 2007-06-07 US 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.