SCHEMBL7732601

SCHEMBL7732601

CCCCCCOc1ccc(-c2ccc(C(C)=O)cc2)cc1

nearest known ligand 0.77

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.77
RARB P10826 4/20 0.77
L3MBTL1 Q9Y468 1/20 0.74
TP53 P04637 1/20 0.69
TSHR P16473 1/20 0.69
PLA2G4B P0C869 6/20 0.67
PLA2G4A P47712 1/20 0.60
THRA P10827 2/20 0.57
THRB P10828 2/20 0.57
NR5A1 Q13285 1/20 0.57

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
SCHEMBL12243177 1.00 GAA (0.77) GAARARBL3MBTL1TP53TSHR
SCHEMBL15177348 1.00 GAA (0.77) GAARARBL3MBTL1TP53TSHR
SCHEMBL9126821 1.00 GAA (0.77) GAARARBL3MBTL1TP53TSHR
SCHEMBL7739031 1.00 GAA (0.77) GAARARBL3MBTL1TP53TSHR
SCHEMBL9000300 1.00 GAA (0.77) GAARARBL3MBTL1TP53TSHR
SCHEMBL10536554 1.00 GAA (0.77) GAARARBL3MBTL1TP53TSHR
SCHEMBL9637119 1.00 GAA (0.77) GAARARBL3MBTL1TP53TSHR
SCHEMBL903877 0.98 L3MBTL1 (0.77) GAARARBL3MBTL1TP53TSHR
SCHEMBL7732272 0.98 L3MBTL1 (0.77) GAARARBL3MBTL1TP53TSHR
SCHEMBL762326 0.95 GAA (0.86) GAARARBL3MBTL1TP53TSHR

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-20150337013-A1 NOVEL ANTIBACTERIAL AGENTS FOR THE TREATMENT OF GRAM POSITIVE INFECTIONS MERCK SHARP & DOHME CORP. (US) 2015-11-26 US disclosed
US-8507647-B2 Antibacterial agents for the treatment of gram positive infections CUBIST PHARMACEUTICALS, INC. (US) 2013-08-13 US disclosed
US-7790744-B2 Cyclic peptide antifungal agents and process for preparation thereof ELI LILLY AND COMPANY (US) 2010-09-07 US disclosed
US-6743777-B1 TRISPHENYL ACYL DERIVATIVES OF THE ECHINOCANDIN CLASS; CANDIDA ALBICANS; ANTIFUNGAL AND ANTIPARASITIC; CYCLIC HEXAPEPTIDES HAVING UNIQUE SIDE CHAIN ACYL GROUP ELI LILLY AND COMPANY 2004-06-01 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-20150337013-A1 NOVEL ANTIBACTERIAL AGENTS FOR THE TREATMENT OF GRAM POSITIVE INFECTIONS CLPP, CLPTM1, RPN1 GAA 979/4885RARB 4537/4885L3MBTL1 1585/4885

“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.