SCHEMBL6432078

SCHEMBL6432078

CC(=O)OC1=CC[C@@]2(C)C(CC[C@H]3[C@@H]4CCC[C@@]4(C)CC[C@@H]32)C1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NR1I3 Q14994 1/20 0.47
GRIN1 Q05586 7/20 0.47
GRIN2B Q13224 7/20 0.47
MBOAT4 Q96T53 2/20 0.45
CDK5 Q00535 1/20 0.44
CDK5R1 Q15078 1/20 0.44
SRD5A2 P31213 1/20 0.41
AKR1B10 O60218 2/20 0.38
AKR1B1 P15121 2/20 0.38
GPBAR1 Q8TDU6 1/20 0.38

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
SCHEMBL7992332 0.87 SRD5A2 (0.41) NR1I3GRIN1GRIN2BSRD5A2AKR1B10
SCHEMBL17065133 0.83 AKR1B10 (0.58) GRIN1GRIN2BSRD5A2AKR1B10AKR1B1
SCHEMBL3361092 0.82 SRD5A2 (0.40) SRD5A2AKR1B10AKR1B1GPBAR1
SCHEMBL8964931 0.82 CYP19A1 (0.49) SRD5A2AKR1B10AKR1B1GPBAR1
SCHEMBL8964927 0.82 CYP19A1 (0.49) SRD5A2AKR1B10AKR1B1GPBAR1
SCHEMBL9706991 0.81 CYP17A1 (0.46) SRD5A2AKR1B10AKR1B1GPBAR1
SCHEMBL324889 0.81 NR1I3 (0.53) NR1I3GRIN1GRIN2BMBOAT4CDK5
SCHEMBL9293470 0.79 GRIN1 (0.50) NR1I3GRIN1GRIN2BMBOAT4CDK5
SCHEMBL7804314 0.79 NR1I3 (0.46) NR1I3GRIN1GRIN2BMBOAT4CDK5
SCHEMBL9348284 0.78 NR1I3 (0.48) NR1I3GRIN1GRIN2BMBOAT4CDK5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1534298-A2 NOVEL ANTICHOLESTEROL COMPOSITIONS AND METHOD FOR USING SAME Anagen Therapeutics, Inc. (US) 2005-06-01 EP disclosed
WO-2004001002-A2 NOVEL ANTICHOLESTEROL COMPOSITIONS AND METHOD FOR USING SAME ANAGEN THERAPEUTICS, INC. (US) 2003-12-31 WO disclosed
US-20030153541-A1 Novel anticholesterol compositions and method for using same ANAGEN THERAPEUTICS, INC. 2003-08-14 US disclosed
US-20020152479-A1 Car modulators: screening and treatment of hypercholesterolemia ARROW ACQUISITION, LLC 2002-10-17 US disclosed
WO-2001051045-A2 MODULATORS OF THE CONSTITUTIVE ADROSTANE RECEPTOR (CAR): SCREENING AND TREATMENT OF HYPERCHOLESTEROLEMIA TULARIK INC. (US) 2001-07-19 WO disclosed
WO-1996036230-A1 MODULATORS FOR NEW MEMBERS OF THE STEROID/THYROID SUPERFAMILY OF RECEPTORS THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 1996-11-21 WO 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 (2 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-20020152479-A1 Car modulators: screening and treatment of hypercholesterolemia LDLR, LCAT, CETP NR1I3 32/4885GRIN1 2676/4885GRIN2B 3874/4885
US-20030153541-A1 Novel anticholesterol compositions and method for using same CYP46A1, NR1H4, NR1H3 NR1I3 67/4885GRIN1 2662/4885GRIN2B 3429/4885

“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.