SCHEMBL3280434

SCHEMBL3280434

CC(=O)NC(C)(C)Cc1c(C(C2=C(O)C(C)(c3ccc(C)cc3)C2=O)c2ccccc2)[nH]c2cc(C)ccc12

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.35
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32
EGFR P00533 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MLKL Q8NB16 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL3284276 0.98 CYP19A1 (0.34) CYP19A1MTNR1AMTNR1BEGFRKDM4E
SCHEMBL3280349 0.95 MTNR1A (0.34) CYP19A1MTNR1AMTNR1B
SCHEMBL3280705 0.87 MTNR1A (0.38) CYP19A1MTNR1AMTNR1BEGFRKDM4E
SCHEMBL3280080 0.86 KDM4E (0.33) CYP19A1MTNR1AMTNR1BEGFRKDM4E
SCHEMBL3279500 0.86 CYP19A1 (0.33) CYP19A1MTNR1AMTNR1BEGFR
SCHEMBL8202811 0.85 CYP19A1 (0.35) CYP19A1MTNR1AMTNR1BEGFRMLKL
SCHEMBL3280740 0.84 MTNR1A (0.38) CYP19A1MTNR1AMTNR1BEGFRKDM4E
SCHEMBL8196011 0.83 CYP19A1 (0.34) CYP19A1MTNR1AMTNR1BEGFRMLKL
SCHEMBL3279617 0.81 MLKL (0.42) CYP19A1EGFRKDM4EALDH1A1MLKL
SCHEMBL3284735 0.81 MTNR1A (0.37) CYP19A1MTNR1AMTNR1B

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 6 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 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
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

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 CYP19A1 1050/4885MTNR1A 1303/4885MTNR1B 1821/4885

“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.