SCHEMBL6312546

SCHEMBL6312546

[CH2][C@@]1(C)CCC[C@]2(C)c3cc(OC(C)=O)ccc3CC[C@@H]12

nearest known ligand 0.72

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 9/20 0.72
▸ NR1H3 Q13133 9/20 0.72
▸ POLA1 P09884 4/20 0.57
▸ CYP3A4 P08684 2/20 0.53
▸ CYP2C9 P11712 1/20 0.53
▸ TSHR P16473 1/20 0.53
▸ CYP2C19 P33261 1/20 0.53
▸ PDE4D Q08499 1/20 0.47
▸ TP53 P04637 1/20 0.46
▸ PTPN1 P18031 1/20 0.45
▸ KARS1 Q15046 1/20 0.44
▸ SOD1 P00441 1/20 0.43

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
SCHEMBL6312549 1.00 NR1H2 (0.72) NR1H2NR1H3POLA1CYP3A4CYP2C9
SCHEMBL6312566 0.85 NR1H2 (0.82) NR1H2NR1H3POLA1CYP3A4CYP2C9
SCHEMBL6312574 0.85 NR1H2 (0.82) NR1H2NR1H3POLA1CYP3A4CYP2C9
Acetyl Podocarpic Acid Anhydride SCHEMBL5538089 0.84 NR1H2 (1.00) NR1H2NR1H3POLA1CYP3A4CYP2C9
Acetyl Podocarpic Acid Anhydride SCHEMBL31364127 0.84 NR1H2 (1.00) NR1H2NR1H3POLA1CYP3A4CYP2C9
SCHEMBL6311814 0.79 NR1H2 (0.64) NR1H2NR1H3POLA1SOD1
SCHEMBL6311810 0.79 NR1H2 (0.64) NR1H2NR1H3POLA1SOD1
SCHEMBL6309964 0.76 NR1H2 (0.53) NR1H2NR1H3POLA1CYP3A4CYP2C9
SCHEMBL6309962 0.76 NR1H2 (0.53) NR1H2NR1H3POLA1CYP3A4CYP2C9
SCHEMBL2983955 0.76 NR1H2 (0.69) NR1H2NR1H3POLA1CYP3A4PDE4D

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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