SCHEMBL8921371

SCHEMBL8921371

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP24A1 Q07973 6/20 0.54
CYP26A1 O43174 3/20 0.54
CYP27A1 Q02318 3/20 0.51
CYP19A1 P11511 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.49
MTNR1A P48039 1/20 0.47
MTNR1B P49286 1/20 0.47
KDM4E B2RXH2 2/20 0.46
GLA P06280 2/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
RAB9A P51151 1/20 0.46
ATM Q13315 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
DRD2 P14416 2/20 0.46
HTR2A P28223 2/20 0.46
HTR2C P28335 2/20 0.46
HTR2B P41595 2/20 0.46
SIGMAR1 Q99720 2/20 0.46

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
SCHEMBL345475 0.89 ACHE (0.51) CYP24A1CYP26A1CYP19A1MTNR1AMTNR1B
SCHEMBL4622848 0.87 CYP24A1 (0.58) CYP24A1CYP26A1CYP27A1CYP19A1SMN1; SMN2
SCHEMBL7290713 0.87 CYP24A1 (0.53) CYP24A1CYP26A1CYP27A1CYP19A1SMN1; SMN2
SCHEMBL972021 0.87 CYP24A1 (0.53) CYP24A1CYP26A1CYP27A1CYP19A1SMN1; SMN2
SCHEMBL2466607 0.86 METAP1 (0.53) CYP24A1CYP26A1CYP19A1SMN1; SMN2KDM4E
SCHEMBL5217220 0.85 MAPK1 (0.53) CYP24A1CYP26A1CYP27A1CYP19A1SMN1; SMN2
SCHEMBL9142321 0.83 PIN1 (0.43) CYP24A1CYP26A1CYP27A1KDM4ERAB9A
SCHEMBL19900206 0.83 SRD5A1 (0.42) CYP24A1CYP26A1CYP27A1CYP19A1SMN1; SMN2
SCHEMBL8921424 0.83 CYP24A1 (0.51) CYP24A1CYP26A1CYP27A1CYP19A1SMN1; SMN2
SCHEMBL4098450 0.83 CYP24A1 (0.54) 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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10953012-B2 Heterocyclic compounds for the inhibition of pask BIOENERGENIX LLC (US) 2021-03-23 US disclosed
US-10953012-B2 Heterocyclic compounds for the inhibition of pask BIOENERGENIX LLC (US) 2021-03-23 US disclosed
US-9504675-B2 Alpha-ketoheterocycles and methods of making and using THE SCRIPPS RESEARCH INSTITUTE (US) 2016-11-29 US disclosed
US-9504675-B2 Alpha-ketoheterocycles and methods of making and using THE SCRIPPS RESEARCH INSTITUTE (US) 2016-11-29 US disclosed
EP-2670245-B1 ALPHA-KETOHETEROCYCLES AND METHODS OF MAKING AND USING SCRIPPS RESEARCH INST (US) 2015-09-09 EP disclosed
WO-2012149157-A2 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX (US) 2012-11-01 WO disclosed
WO-2012149157-A2 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX (US) 2012-11-01 WO disclosed
US-20120277224-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX (US) 2012-11-01 US disclosed
US-20120277224-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX (US) 2012-11-01 US disclosed
US-20120277224-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX (US) 2012-11-01 US disclosed
US-5696143-A ARTHRITIS THERAPY G.D. SEARLE & CO. 1997-12-09 US disclosed
WO-1996009293-A1 BENZ[g]INDAZOLYL DERIVATIVES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-03-28 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-20120277224-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK PASK, PDXK, PANK2 CYP24A1 3919/4885CYP26A1 4235/4885CYP27A1 1061/4885
US-10953012-B2 Heterocyclic compounds for the inhibition of pask PASK, PDXK, PANK2 CYP24A1 3919/4885CYP26A1 4235/4885CYP27A1 1061/4885

“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.