SCHEMBL6312666

SCHEMBL6312666

C[C@]1(C(=O)OC(=O)[C@@]2(C)CCC[C@]3(C)c4cc(O)ccc4CC[C@@H]23)CCC[C@]2(C)c3cc(O)ccc3CC[C@H]12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 17/20 1.00
▸ NR1H3 Q13133 17/20 1.00
▸ SOD1 P00441 1/20 0.71
▸ POLA1 P09884 2/20 0.60

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
SCHEMBL20561396 1.00 NR1H2 (1.00) NR1H2NR1H3SOD1POLA1
SCHEMBL6312669 1.00 NR1H2 (1.00) NR1H2NR1H3SOD1POLA1
SCHEMBL29493568 0.92 SOD1 (0.85) NR1H2NR1H3SOD1POLA1
SCHEMBL20561070 0.92 SOD1 (0.85) NR1H2NR1H3SOD1POLA1
SCHEMBL29295272 0.92 SOD1 (0.85) NR1H2NR1H3SOD1POLA1
SCHEMBL24270695 0.92 SOD1 (0.85) NR1H2NR1H3SOD1POLA1
SCHEMBL20561073 0.92 SOD1 (0.85) NR1H2NR1H3SOD1POLA1
SCHEMBL30427212 0.92 SOD1 (0.85) NR1H2NR1H3SOD1POLA1
Podocaric Acid SCHEMBL14389445 0.88 NR1H2 (0.80) NR1H2NR1H3SOD1POLA1
Podocaric Acid SCHEMBL31181390 0.88 NR1H2 (0.80) NR1H2NR1H3SOD1POLA1

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 2/4885SOD1 1866/4885

“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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