SCHEMBL6310832

SCHEMBL6310832

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

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 7/20 0.53
▸ NR1H3 Q13133 7/20 0.53
▸ KARS1 Q15046 1/20 0.50
▸ POLA1 P09884 4/20 0.49
▸ CYP3A4 P08684 2/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ MEN1 O00255 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ KDM1A O60341 2/20 0.43
▸ MAOA P21397 1/20 0.42
▸ MAOB P27338 1/20 0.42
▸ PTPN1 P18031 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ HRH3 Q9Y5N1 1/20 0.42

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
SCHEMBL6310827 1.00 NR1H2 (0.53) NR1H2NR1H3KARS1POLA1CYP3A4
SCHEMBL6309964 0.84 NR1H2 (0.53) NR1H2NR1H3POLA1CYP3A4CYP2C9
SCHEMBL6309962 0.84 NR1H2 (0.53) NR1H2NR1H3POLA1CYP3A4CYP2C9
SCHEMBL29295291 0.84 POLA1 (0.72) NR1H2NR1H3KARS1POLA1CYP3A4
SCHEMBL6312190 0.84 POLA1 (0.72) NR1H2NR1H3KARS1POLA1CYP3A4
SCHEMBL20561120 0.84 POLA1 (0.72) NR1H2NR1H3KARS1POLA1CYP3A4
SCHEMBL6312187 0.84 POLA1 (0.72) NR1H2NR1H3KARS1POLA1CYP3A4
SCHEMBL6309929 0.84 POLA1 (0.72) NR1H2NR1H3KARS1POLA1CYP3A4
SCHEMBL6309935 0.84 POLA1 (0.72) NR1H2NR1H3KARS1POLA1CYP3A4
SCHEMBL6310209 0.82 CYP3A4 (0.71) NR1H2NR1H3KARS1POLA1CYP3A4

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 2/4885KARS1 2482/4885

“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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