SCHEMBL6311679

SCHEMBL6311679

COc1cccc(C2(CNC(=O)[C@]3(C)CCC[C@]4(C)c5cc(OCc6ccccc6)ccc5CC[C@@H]34)CCCCC2)c1

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 10/20 0.68
▸ NR1H3 Q13133 10/20 0.68
▸ POLA1 P09884 2/20 0.54
▸ CYP2C9 P11712 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.46
▸ MMP3 P08254 5/20 0.45
▸ MMP9 P14780 5/20 0.45
▸ MMP8 P22894 5/20 0.45

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
SCHEMBL6311870 0.92 NR1H2 (0.74) NR1H2NR1H3POLA1
SCHEMBL6318781 0.89 NR1H2 (0.80) NR1H2NR1H3POLA1
SCHEMBL6310538 0.82 NR1H2 (0.66) NR1H2NR1H3POLA1
SCHEMBL20561122 0.82 NR1H2 (0.66) NR1H2NR1H3POLA1
SCHEMBL6309953 0.82 NR1H2 (0.76) NR1H2NR1H3POLA1CYP2C9TSHR
SCHEMBL6310591 0.82 NR1H2 (0.73) NR1H2NR1H3POLA1
SCHEMBL6310587 0.82 NR1H2 (0.73) NR1H2NR1H3POLA1
SCHEMBL6310992 0.81 NR1H2 (0.81) NR1H2NR1H3POLA1
SCHEMBL6312606 0.81 NR1H2 (1.00) NR1H2NR1H3
SCHEMBL6309960 0.81 NR1H2 (0.75) NR1H2NR1H3POLA1CYP2C9TSHR

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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