SCHEMBL6865527

SCHEMBL6865527

COc1ccc(C(O)c2c(C)cc(NC(=O)OC(C)(C)C)cc2C)cc1C(C)C

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA9 Q16790 1/20 0.36
LPAR1 Q92633 1/20 0.36
KCNK3 O14649 1/20 0.36
KCNK9 Q9NPC2 1/20 0.36
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL6866214 0.87 THRB (0.40) LPAR1KCNK3KCNK9
SCHEMBL6863345 0.79 THRB (0.44) ALDH1A1GAALPAR1
SCHEMBL6864035 0.79 PPARG (0.40) ALDH1A1GAACA12CA1CA9
SCHEMBL18467344 0.74 ALDH1A1 (0.58) ALDH1A1GAACA12CA1CA9
SCHEMBL282518 0.72 RORC (0.64)
SCHEMBL26521205 0.71 ALDH1A1 (0.48) ALDH1A1GAACA12CA1CA9
SCHEMBL145260 0.69 ALDH1A1 (0.51) ALDH1A1GAACA12CA1CA9
SCHEMBL13065195 0.69 ALDH1A1 (0.46) ALDH1A1GAACA12CA1CA9
SCHEMBL16302366 0.69 CA12 (0.51) ALDH1A1GAACA12CA1CA9
SCHEMBL13989144 0.69 ALDH1A1 (0.58) ALDH1A1GAACA12CA1CA9

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 ALDH1A1 1351/4885GAA 1550/4885CA12 4256/4885

“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.