SCHEMBL17898565

SCHEMBL17898565

CC(C)CCC(=O)CCC(=O)CCC(C)(C)OP(=O)(O)O

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.33
SMPD1 P17405 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
SCHEMBL3280156 0.88 SMPD1 (0.36) SMPD1
SCHEMBL17898553 0.86 CA1 (0.31) CA1
SCHEMBL8742968 0.83 SMPD1 (0.33) SMPD1
SCHEMBL3280344 0.81 SMPD1 (0.38) SMPD1
SCHEMBL12953253 0.79 SMPD1 (0.39) SMPD1
SCHEMBL8742389 0.77 SMPD1 (0.35) SMPD1
SCHEMBL3283840 0.74 SMPD1 (0.38) SMPD1
SCHEMBL3280534 0.74 SMPD1 (0.42) SMPD1
SCHEMBL3279603 0.74 GRM4 (0.32) SMPD1
SCHEMBL8896983 0.73 CA1 (0.44) CA1

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 CA1 2996/4885SMPD1 4868/4885
US-20160193238-A1 HNF4-alpha ANTAGONIST AND USE THEREOF HNF4A, TCF4, WNT3A CA1 2996/4885SMPD1 4868/4885

“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.