SCHEMBL6316695

SCHEMBL6316695

C[C@@]1(C(=O)NC(=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 3)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 19/20 1.00
NR1H3 Q13133 19/20 1.00
SOD1 P00441 1/20 0.65

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
SCHEMBL20561399 1.00 NR1H2 (1.00) NR1H2NR1H3SOD1
SCHEMBL20560970 0.93 NR1H2 (0.87) NR1H2NR1H3SOD1
SCHEMBL24270940 0.93 NR1H2 (0.87) NR1H2NR1H3SOD1
SCHEMBL23962014 0.93 NR1H2 (0.87) NR1H2NR1H3SOD1
SCHEMBL24591687 0.92 NR1H2 (0.85) NR1H2NR1H3SOD1
SCHEMBL20561125 0.92 NR1H2 (0.84) NR1H2NR1H3SOD1
SCHEMBL20561204 0.92 NR1H2 (0.84) NR1H2NR1H3SOD1
SCHEMBL31678817 0.92 NR1H2 (0.84) NR1H2NR1H3SOD1
SCHEMBL20561221 0.92 NR1H2 (0.84) NR1H2NR1H3SOD1
SCHEMBL23962106 0.91 NR1H2 (0.83) NR1H2NR1H3SOD1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1606268-A1 HETEROCYCLIC KINASE INHIBITORS Abbott Laboratories (US) 2005-12-21 EP disclosed
US-6908934-B2 Therapeutic compounds for treating dyslipidemic conditions MERCK & CO., INC. (US) 2005-06-21 US disclosed
US-20050059817-A1 Methods for synthesizing nucleosides, nucleoside derivatives and non-nucleoside derivatives SIRNA THERAPEUTICS, INC. (US) 2005-03-17 US disclosed
WO-2004076424-A1 HETEROCYCLIC KINASE INHIBITORS ABBOTT LABORATORIES (US) 2004-09-10 WO disclosed
US-6686463-B2 FEWER SYNTHETIC STEPS; INVOLVES FORMATION OF A 5',4'-BRIDGING SILYL PROTECTING GROUP TO FORM A FUSED SILOXANE ON THE FURAN RING SIRNA THERAPEUTICS, INC. 2004-02-03 US disclosed
US-20030125357-A1 Therapeutic compounds for treating dyslipidemic conditions MERCK & CO., INC. 2003-07-03 US disclosed
US-20020150936-A1 Methods for synthesizing nucleosides, nucleoside derivatives and non-nucleoside derivatives RIBOZYME PHARMACEUTICALS, INC. 2002-10-17 US disclosed
US-20020120129-A1 Methods for synthesizing nucleosides, nucleoside derivatives and non-nucleoside derivatives RIBOZYME PHARMACEUTICALS, INC. 2002-08-29 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 (4 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-20050059817-A1 Methods for synthesizing nucleosides, nucleoside derivatives and non-nucleoside derivatives PNP, NSUN2, NT5C3B NR1H2 4547/4885NR1H3 4554/4885SOD1 2233/4885
US-20030125357-A1 Therapeutic compounds for treating dyslipidemic conditions NR1H2, NR1H3, APOB NR1H2 1/4885NR1H3 2/4885SOD1 1866/4885
US-20020120129-A1 Methods for synthesizing nucleosides, nucleoside derivatives and non-nucleoside derivatives PNP, NSUN2, NT5C3B NR1H2 4320/4885NR1H3 4340/4885SOD1 2151/4885
US-20020150936-A1 Methods for synthesizing nucleosides, nucleoside derivatives and non-nucleoside derivatives PNP, NSUN2, NT5C3B NR1H2 4430/4885NR1H3 4410/4885SOD1 2390/4885

“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.