SCHEMBL4548389

SCHEMBL4548389

COc1ccc2c(c1)CCC(C(=O)CCC(=O)O)C2=O

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP24A1 Q07973 6/20 0.55
CYP26A1 O43174 3/20 0.55
CYP27A1 Q02318 3/20 0.52
CYP19A1 P11511 1/20 0.52
DRD2 P14416 2/20 0.47
HTR2A P28223 2/20 0.47
HTR2C P28335 2/20 0.47
HTR2B P41595 2/20 0.47
SIGMAR1 Q99720 2/20 0.47
METAP1 P53582 2/20 0.43
ACHE P22303 2/20 0.43
KDM4E B2RXH2 1/20 0.43
GLA P06280 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
PPARD Q03181 1/20 0.42

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
SCHEMBL4548390 0.89 CYP24A1 (0.51) CYP24A1CYP26A1CYP27A1CYP19A1DRD2
SCHEMBL4622848 0.84 CYP24A1 (0.58) CYP24A1CYP26A1CYP27A1CYP19A1DRD2
SCHEMBL10312514 0.84 METAP1 (0.39) CYP24A1CYP26A1CYP27A1CYP19A1METAP1
SCHEMBL4621209 0.81 CYP24A1 (0.65) CYP24A1CYP26A1CYP27A1CYP19A1METAP1
SCHEMBL8921371 0.81 CYP24A1 (0.54) CYP24A1CYP26A1CYP27A1CYP19A1DRD2
SCHEMBL5217220 0.80 MAPK1 (0.53) CYP24A1CYP26A1CYP27A1CYP19A1DRD2
SCHEMBL4623118 0.80 CYP24A1 (0.63) CYP24A1CYP26A1CYP27A1CYP19A1METAP1
SCHEMBL972021 0.79 CYP24A1 (0.53) CYP24A1CYP26A1CYP27A1CYP19A1DRD2
SCHEMBL7290713 0.79 CYP24A1 (0.53) CYP24A1CYP26A1CYP27A1CYP19A1DRD2
SCHEMBL7166421 0.79 CYP24A1 (0.61) CYP24A1CYP26A1CYP27A1CYP19A1METAP1

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 10 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
WO-2008051403-A2 NIACIN RECEPTOR AGONISTS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK & CO., INC. (US) 2008-05-02 WO 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.