SCHEMBL17898554

SCHEMBL17898554

CC1(C)OC(=O)C(CC(=O)C2CCCCC2)C(=O)O1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.35
NPSR1 Q6W5P4 2/20 0.35
GLA P06280 1/20 0.35
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
MAPK1 P28482 1/20 0.32
ALDH1A1 P00352 2/20 0.31
TP53 P04637 1/20 0.31
BACE1 P56817 1/20 0.31
PSMB5 P28074 1/20 0.30
TDO2 P48775 1/20 0.30

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
SCHEMBL16663985 0.75 MAPT (0.48) IDO1NPSR1CES2CES1ALDH1A1
SCHEMBL7992161 0.75 BACE1 (0.39) NPSR1CES2CES1MAPK1ALDH1A1
SCHEMBL1403152 0.73 BACE1 (0.40) NPSR1CES2CES1MAPK1ALDH1A1
SCHEMBL17898549 0.71 IDO1 (0.40) IDO1CES2CES1ALDH1A1TDO2
SCHEMBL9200946 0.69 GAA (0.46) NPSR1GLAALDH1A1TP53BACE1
SCHEMBL1403176 0.69 BACE1 (0.40) BACE1
SCHEMBL5561146 0.68 GAA (0.39) MAPK1ALDH1A1TP53BACE1
SCHEMBL9195238 0.66 MAPT (0.42) NPSR1GLAMAPK1BACE1
SCHEMBL3091285 0.66 GLA (0.41) NPSR1GLA
SCHEMBL8163132 0.66 GLA (0.47) NPSR1GLABACE1

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
US-9795586-B2 HNF4-α antagonist and use thereof NATIONAL CANCER CENTER (KR) 2017-10-24 US disclosed
US-9795586-B2 HNF4-α antagonist and use thereof NATIONAL CANCER CENTER (KR) 2017-10-24 US disclosed
US-20170189371-A1 HNF4-alpha ANTAGONIST AND USE THEREOF NATIONAL CANCER CENTER (KR) 2017-07-06 US disclosed
US-20170189371-A1 HNF4-alpha ANTAGONIST AND USE THEREOF NATIONAL CANCER CENTER (KR) 2017-07-06 US disclosed
US-20160193238-A1 HNF4-alpha ANTAGONIST AND USE THEREOF NATIONAL CANCER CENTER (KR) 2016-07-07 US disclosed
US-20160193238-A1 HNF4-alpha ANTAGONIST AND USE THEREOF NATIONAL CANCER CENTER (KR) 2016-07-07 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 (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-20170189371-A1 HNF4-alpha ANTAGONIST AND USE THEREOF HNF4A, TCF4, WNT3A IDO1 2465/4885NPSR1 2275/4885GLA 2993/4885
US-20160193238-A1 HNF4-alpha ANTAGONIST AND USE THEREOF HNF4A, TCF4, WNT3A IDO1 2465/4885NPSR1 2275/4885GLA 2993/4885

“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.