SCHEMBL6310209

SCHEMBL6310209

C[C@]1(CO)CCC[C@]2(C)c3cc(OCc4ccccc4)ccc3CC[C@@H]12

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.71
▸ CYP2C9 P11712 1/20 0.71
▸ TSHR P16473 1/20 0.71
▸ CYP2C19 P33261 1/20 0.71
▸ NR1H2 P55055 8/20 0.54
▸ NR1H3 Q13133 8/20 0.54
▸ POLA1 P09884 6/20 0.53
▸ KARS1 Q15046 1/20 0.53
▸ PTPN1 P18031 1/20 0.45
▸ USP2 O75604 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ ALOX15 P16050 1/20 0.44

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
SCHEMBL6310212 1.00 CYP3A4 (0.71) CYP3A4CYP2C9TSHRCYP2C19NR1H2
SCHEMBL6309935 0.87 POLA1 (0.72) CYP3A4CYP2C9TSHRCYP2C19NR1H2
SCHEMBL20561120 0.87 POLA1 (0.72) CYP3A4CYP2C9TSHRCYP2C19NR1H2
SCHEMBL6312190 0.87 POLA1 (0.72) CYP3A4CYP2C9TSHRCYP2C19NR1H2
SCHEMBL6309929 0.87 POLA1 (0.72) CYP3A4CYP2C9TSHRCYP2C19NR1H2
SCHEMBL29295291 0.87 POLA1 (0.72) CYP3A4CYP2C9TSHRCYP2C19NR1H2
SCHEMBL6312187 0.87 POLA1 (0.72) CYP3A4CYP2C9TSHRCYP2C19NR1H2
SCHEMBL6309964 0.85 NR1H2 (0.53) CYP3A4CYP2C9TSHRCYP2C19NR1H2
SCHEMBL6309962 0.85 NR1H2 (0.53) CYP3A4CYP2C9TSHRCYP2C19NR1H2
SCHEMBL6310538 0.84 NR1H2 (0.66) NR1H2NR1H3POLA1PTPN1

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 CYP3A4 571/4885CYP2C9 982/4885TSHR 685/4885

“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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