SCHEMBL4548390

SCHEMBL4548390

COC(=O)CCC(=O)C1CCc2cc(OC)ccc2C1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP24A1 Q07973 6/20 0.51
CYP26A1 O43174 3/20 0.51
CYP27A1 Q02318 3/20 0.48
CYP19A1 P11511 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.44
DRD2 P14416 2/20 0.43
HTR2A P28223 2/20 0.43
HTR2C P28335 2/20 0.43
HTR2B P41595 2/20 0.43
SIGMAR1 Q99720 2/20 0.43
METAP1 P53582 2/20 0.43
MTNR1A P48039 2/20 0.42
MTNR1B P49286 1/20 0.42
KDM4E B2RXH2 1/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
ATM Q13315 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL4548389 0.89 CYP24A1 (0.55) CYP24A1CYP26A1CYP27A1CYP19A1SMN1; SMN2
SCHEMBL10312512 0.87 MAPT (0.38) CYP24A1CYP26A1CYP27A1CYP19A1SMN1; SMN2
SCHEMBL8921371 0.82 CYP24A1 (0.54) CYP24A1CYP26A1CYP27A1CYP19A1SMN1; SMN2
SCHEMBL4622848 0.81 CYP24A1 (0.58) CYP24A1CYP26A1CYP27A1CYP19A1SMN1; SMN2
SCHEMBL9855296 0.79 CYP24A1 (0.63) CYP24A1CYP26A1CYP27A1CYP19A1METAP1
SCHEMBL5217220 0.79 MAPK1 (0.53) CYP24A1CYP26A1CYP27A1CYP19A1SMN1; SMN2
SCHEMBL7290713 0.78 CYP24A1 (0.53) CYP24A1CYP26A1CYP27A1CYP19A1SMN1; SMN2
SCHEMBL972021 0.78 CYP24A1 (0.53) CYP24A1CYP26A1CYP27A1CYP19A1SMN1; SMN2
SCHEMBL14217526 0.78 METAP1 (0.47) CYP24A1CYP26A1CYP27A1CYP19A1SMN1; SMN2
SCHEMBL8921424 0.77 CYP24A1 (0.51) CYP24A1CYP26A1CYP27A1CYP19A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120178750-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment MERCK SHARP & DOHME CORP. (US) 2012-07-12 US disclosed
US-8168649-B2 Niacin receptor agonists, compositions containing such compounds and methods of treatment Merk Sharp & Dohme Corp. (US) 2012-05-01 US disclosed
US-8168649-B2 Niacin receptor agonists, compositions containing such compounds and methods of treatment Merk Sharp & Dohme Corp. (US) 2012-05-01 US disclosed
US-20100204278-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment MERCK SHARP & DOHME CORP. 2010-08-12 US disclosed
US-20100204278-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment MERCK SHARP & DOHME CORP. 2010-08-12 US disclosed
US-20100144778-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment MERCK SHARP & DOHME LLC 2010-06-10 US disclosed
US-20100144778-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment MERCK SHARP & DOHME LLC 2010-06-10 US disclosed
US-20070299101-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment MERCK SHARP & DOHME CORP. 2007-12-27 US disclosed
US-20070299101-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment MERCK SHARP & DOHME CORP. 2007-12-27 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-20100144778-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment HCAR1, HCAR2, GPR119 CYP24A1 75/4885CYP26A1 207/4885CYP27A1 62/4885
US-20100204278-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment HCAR1, HCAR2, FFAR1 CYP24A1 75/4885CYP26A1 220/4885CYP27A1 65/4885
US-20070299101-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment LDLR, APOB, FFAR1 CYP24A1 98/4885CYP26A1 161/4885CYP27A1 52/4885
US-20120178750-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment HCAR1, HCAR2, FFAR1 CYP24A1 75/4885CYP26A1 212/4885CYP27A1 70/4885

“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.