SCHEMBL664561

SCHEMBL664561

C=CCc1ccc(Cl)c(C(=O)OC(C)(C)C)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.45
CYP4A11 Q02928 1/20 0.45
PTGS1 P23219 2/20 0.41
CYP3A4 P08684 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PPARA Q07869 3/20 0.39
ALDH1A1 P00352 3/20 0.39
ALOX5 P09917 2/20 0.39
AR P10275 1/20 0.39
TRPM8 Q7Z2W7 1/20 0.39
PPARG P37231 2/20 0.39
PPARD Q03181 2/20 0.39
XDH P47989 1/20 0.38
HPGD P15428 2/20 0.37
MAPT P10636 2/20 0.37
GABRA1 P14867 2/20 0.37
GABRB2 P47870 2/20 0.37

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
SCHEMBL662462 0.80 CYP4F2 (0.47) CYP4F2CYP4A11PPARAALDH1A1ALOX5
SCHEMBL663584 0.78 CYP4F2 (0.45) CYP4F2CYP4A11CYP3A4MEN1KMT2A
SCHEMBL663578 0.77 ALDH1A1 (0.52) PTGS1CYP3A4MEN1KMT2ATDP1
SCHEMBL22032181 0.76 MAPT (0.39) CYP4F2CYP4A11ALDH1A1HPGDMAPT
SCHEMBL7858859 0.76 ALDH1A1 (0.53) MEN1KMT2ATDP1L3MBTL1ALDH1A1
SCHEMBL14415228 0.75 SLC7A5 (0.59) CYP4F2CYP4A11PTGS1CYP3A4MEN1
SCHEMBL24269548 0.73 NR1H4 (0.43) CYP4F2CYP4A11CYP3A4MEN1KMT2A
SCHEMBL29590117 0.73 NR1H4 (0.43) CYP4F2CYP4A11CYP3A4MEN1KMT2A
SCHEMBL27684346 0.73 GABRG2 (0.43) CYP4F2CYP4A11MEN1KMT2AALDH1A1
SCHEMBL147388 0.73 ALDH1A1 (0.54) MEN1KMT2ATDP1ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120046293-A1 RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2012-02-23 US disclosed
US-8063105-B2 Renin inhibitors MERCK CANADA INC. (CA) 2011-11-22 US disclosed
US-20090281103-A1 Renin Inhibitors MERCK CANADA INC. (CA) 2009-11-12 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-20120046293-A1 RENIN INHIBITORS REN, ACE, AGTR1 CYP4F2 562/4885CYP4A11 231/4885PTGS1 454/4885
US-20090281103-A1 Renin Inhibitors REN, ACE, AGT CYP4F2 257/4885CYP4A11 53/4885PTGS1 387/4885

“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.