SCHEMBL4317205

SCHEMBL4317205

Cc1cc(C)cc([C@@H](O)CCC(=O)O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.39
TET2 Q6N021 3/20 0.39
KDM4A O75164 2/20 0.39
KDM4C Q9H3R0 2/20 0.39
KDM2A Q9Y2K7 2/20 0.39
TPMT P51580 1/20 0.39
TET3 O43151 1/20 0.39
NPSR1 Q6W5P4 2/20 0.38
GABRP O00591 2/20 0.38
GABRD O14764 2/20 0.38
GABRA1 P14867 2/20 0.38
GABRB1 P18505 2/20 0.38
GABRG2 P18507 2/20 0.38
GABRB3 P28472 2/20 0.38
GABRA5 P31644 2/20 0.38
GABRA3 P34903 2/20 0.38
GABRA2 P47869 2/20 0.38
GABRB2 P47870 2/20 0.38
GABRA4 P48169 2/20 0.38
GABRE P78334 2/20 0.38

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
SCHEMBL5129422 1.00 FFAR1 (0.39) FFAR1TET2KDM4AKDM4CKDM2A
SCHEMBL4310166 0.83 HTT (0.40) TPMTNPSR1CYP1A2HTTKMT2A
SCHEMBL5132748 0.83 HTT (0.40) TPMTNPSR1CYP1A2HTTKMT2A
SCHEMBL11838668 0.81 KMT2A (0.48) FFAR1KMT2A
SCHEMBL27650043 0.81 GABRP (0.42) FFAR1TPMTNPSR1GABRPGABRD
SCHEMBL28197782 0.79 GABRP (0.45) FFAR1TPMTNPSR1GABRPGABRD
SCHEMBL28197781 0.79 GABRP (0.45) FFAR1TPMTNPSR1GABRPGABRD
SCHEMBL28080073 0.79 L3MBTL1 (0.45) NPSR1CYP1A2HTTKMT2A
SCHEMBL11827946 0.77 FFAR1 (0.49) FFAR1CYP1A2KMT2AMEN1
SCHEMBL28266226 0.75 HTT (0.37) NPSR1HTT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8865707-B2 Cholesteryl ester transfer protein inhibitors MERCK SHARP & DOHME CORP. (US) 2014-10-21 US disclosed
EP-1973546-B1 CHOLESTERYL ESTER TRANSFER PROTEIN INHIBITORS MERCK SHARP & DOHME (US) 2012-06-13 EP disclosed
US-20090018054-A1 Cholesteryl Ester Transfer Protein Inhibitors MERCK SHARP & DOHME LLC 2009-01-15 US disclosed
EP-1973546-A2 CHOLESTERYL ESTER TRANSFER PROTEIN INHIBITORS Merck & Co., Inc. (US) 2008-10-01 EP disclosed
WO-2007081570-A2 CHOLESTERYL ESTER TRANSFER PROTEIN INHIBITORS MERCK & CO., INC. (US) 2007-07-19 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 (1 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-20090018054-A1 Cholesteryl Ester Transfer Protein Inhibitors CETP, APOB, MTTP FFAR1 537/4885TET2 4609/4885KDM4A 3260/4885

“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.