SCHEMBL6864035

SCHEMBL6864035

COc1ccc(C(O)c2c(C)cc(NC(=O)OC(C)(C)C)cc2C)cc1Cc1ccc(F)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
CYP17A1 P05093 1/20 0.37
KMT2A Q03164 2/20 0.36
KCNQ4 P56696 3/20 0.35
KCNQ5 Q9NR82 3/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
MAPK14 Q16539 1/20 0.35
RORC P51449 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA9 Q16790 1/20 0.34
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
MEN1 O00255 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL6858235 0.89 SMN1; SMN2 (0.42) PPARGSMN1; SMN2KMT2AGAAMEN1
SCHEMBL6862542 0.84 MTNR1A (0.43) PPARGSMN1; SMN2MTNR1AMTNR1BCYP17A1
SCHEMBL6865527 0.79 ALDH1A1 (0.39) ALDH1A1GAACA12CA1CA9
SCHEMBL6858246 0.71 SMN1; SMN2 (0.46) PPARGSMN1; SMN2KMT2AALDH1A1GAA
SCHEMBL31041194 0.71 PTGER1 (0.33) KMT2AALDH1A1MEN1
SCHEMBL6862641 0.69 SMN1; SMN2 (0.43) SMN1; SMN2KMT2AALDH1A1GAAMEN1
SCHEMBL6863345 0.69 THRB (0.44) PPARGMTNR1AMTNR1BCYP17A1ALDH1A1
SCHEMBL18467344 0.68 ALDH1A1 (0.58) PPARGSMN1; SMN2CYP17A1ALDH1A1GAA
SCHEMBL6903617 0.67 MAPT (0.52) SMN1; SMN2KMT2AALDH1A1GAAMEN1
SCHEMBL22548789 0.67 CYP17A1 (0.51) SMN1; SMN2CYP17A1KMT2AMEN1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6803480-B2 THERAPEUTIC TREATMENT AND/OR PROPHYLAXIS OF ARTERIOSCLEROSIS AND HYPERCHOLESTEROLAEMIA BAYER AKTIENGESELLSCHAFT (DE) 2004-10-12 US disclosed
US-20030203898-A1 Therapeutic treatment and/or prophylaxis of arteriosclerosis and hypercholesterolaemia BAYER AKTIENGESELLSCHAFT (DE) 2003-10-30 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-20030203898-A1 Therapeutic treatment and/or prophylaxis of arteriosclerosis and hypercholesterolaemia APOB, HMGCR, PCSK9 PPARG 217/4885SMN1; SMN2 4560/4885MTNR1A 1703/4885

“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.