SCHEMBL6310992

SCHEMBL6310992

COc1ccc(C2(CNC(=O)[C@]3(C)CCC[C@]4(C)c5cc(O)ccc5CC[C@@H]34)CCCCC2)cc1

nearest known ligand 0.81

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 17/20 0.81
▸ NR1H3 Q13133 17/20 0.81
▸ POLA1 P09884 2/20 0.55
▸ SOD1 P00441 1/20 0.52

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
SCHEMBL6318781 0.91 NR1H2 (0.80) NR1H2NR1H3POLA1SOD1
SCHEMBL6312606 0.90 NR1H2 (1.00) NR1H2NR1H3
SCHEMBL6318131 0.88 NR1H2 (0.96) NR1H2NR1H3
SCHEMBL6309953 0.82 NR1H2 (0.76) NR1H2NR1H3POLA1
SCHEMBL20561182 0.82 NR1H2 (0.77) NR1H2NR1H3SOD1
SCHEMBL31678909 0.82 NR1H2 (0.77) NR1H2NR1H3SOD1
SCHEMBL6311679 0.81 NR1H2 (0.68) NR1H2NR1H3POLA1
SCHEMBL6309960 0.81 NR1H2 (0.75) NR1H2NR1H3POLA1
SCHEMBL6311870 0.81 NR1H2 (0.74) NR1H2NR1H3POLA1
SCHEMBL31678865 0.80 NR1H2 (0.62) NR1H2NR1H3POLA1SOD1

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-6908934-B2 Therapeutic compounds for treating dyslipidemic conditions MERCK & CO., INC. (US) 2005-06-21 — — US disclosed
US-20030125357-A1 Therapeutic compounds for treating dyslipidemic conditions MERCK & CO., INC. 2003-07-03 — — 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-20030125357-A1 Therapeutic compounds for treating dyslipidemic conditions NR1H2, NR1H3, APOB NR1H2 1/4885NR1H3 2/4885POLA1 3183/4885

“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.

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