SCHEMBL556179

SCHEMBL556179

COCCCc1c2ccc(c1C)-c1ncccc1C1CCN(C(=O)O)CC21

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.33
KDM4E B2RXH2 3/20 0.33
SMO Q99835 3/20 0.33
HPGD P15428 2/20 0.33
LIPE Q05469 1/20 0.32
HRH1 P35367 2/20 0.32
FFAR4 Q5NUL3 1/20 0.32
RAB9A P51151 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
TSHR P16473 1/20 0.31
FFAR2 O15552 1/20 0.31
CYP2C19 P33261 1/20 0.31
CALCRL Q16602 1/20 0.31
NOS2 P35228 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
SCHEMBL556180 0.78 REN (0.38) ALDH1A1KDM4EHPGDLIPEMEN1
SCHEMBL556485 0.70 REN (0.38) FFAR2
SCHEMBL556315 0.69 REN (0.40) FFAR4MEN1KMT2A
SCHEMBL535102 0.67 REN (0.36) ALDH1A1KDM4EHPGDLIPEMEN1
SCHEMBL534916 0.66 REN (0.54)
SCHEMBL534353 0.66 REN (0.37) FFAR2
SCHEMBL556668 0.65 LIPE (0.36) LIPEFFAR4FFAR2
SCHEMBL29007748 0.61 HSD11B1 (0.43) ALDH1A1RAB9AL3MBTL1CYP2C19
SCHEMBL15286661 0.60 MEN1 (0.43) MEN1KMT2A
SCHEMBL2527420 0.60 MEN1 (0.49) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120035214-A1 RENIN INHIBITORS MERCK CANADA INC. (CA) 2012-02-09 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 (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-20120035214-A1 RENIN INHIBITORS REN, ACE, AGTR1 ALDH1A1 900/4885KDM4E 2653/4885SMO 4537/4885

“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.