SCHEMBL17898577

SCHEMBL17898577

CC1CCC(CC2CCC(CC3CCC(CCC(=O)O)CC3)CC2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.40
KDM5A P29375 4/20 0.38
PHF8 Q9UPP1 4/20 0.38
KDM2A Q9Y2K7 4/20 0.38
KDM4C Q9H3R0 3/20 0.38
KDM7A Q6ZMT4 1/20 0.38
HRH1 P35367 1/20 0.35
DGAT1 O75907 1/20 0.34
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
FOLH1 Q04609 1/20 0.33
KDM4A O75164 1/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 1/20 0.32
ITGB3 P05106 2/20 0.31
ITGA2B P08514 2/20 0.31
FFAR3 O14843 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31

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
SCHEMBL13667991 1.00 MAPT (0.40) MAPTKDM5APHF8KDM2AKDM4C
SCHEMBL1879207 0.94 MAPT (0.43) MAPTKDM5APHF8KDM2AKDM4C
SCHEMBL8920891 0.82 KDM5A (0.47) MAPTKDM5APHF8KDM2AKDM4C
SCHEMBL301024 0.82
SCHEMBL672141 0.82 KDM5A (0.47) MAPTKDM5APHF8KDM2AKDM4C
SCHEMBL23603713 0.82 MAPT (0.38) MAPTKDM5APHF8KDM2AKDM4C
SCHEMBL7823187 0.82 KDM5A (0.46) MAPTKDM5APHF8KDM2AKDM4C
Bromide SCHEMBL15821114 0.80 KDM5A (0.46) MAPTKDM5APHF8KDM2AKDM4C
Hydrochloric Acid SCHEMBL8026839 0.80
Water SCHEMBL15822499 0.80 KDM5A (0.46) MAPTKDM5APHF8KDM2AKDM4C

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 MAPT 4620/4885KDM5A 2722/4885PHF8 2106/4885
US-20160193238-A1 HNF4-alpha ANTAGONIST AND USE THEREOF HNF4A, TCF4, WNT3A MAPT 4620/4885KDM5A 2722/4885PHF8 2106/4885

“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.