SCHEMBL695344

SCHEMBL695344

Cc1cc(Cl)c(OCCOc2ccc(C(=O)O)cc2)c(Cl)c1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.57
MAPK1 P28482 2/20 0.51
TSHR P16473 2/20 0.51
PLAU P00749 1/20 0.51
TP53 P04637 1/20 0.51
PLA2G4B P0C869 2/20 0.50
RARB P10826 4/20 0.49
NR4A2 P43354 3/20 0.49
USP2 O75604 1/20 0.49
ALOX15 P16050 1/20 0.49
HSD17B10 Q99714 1/20 0.49
HTT P42858 1/20 0.48
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL11036037 0.89 PLAU (0.64) PKMMAPK1TSHRPLAUTP53
SCHEMBL694983 0.86 MAPT (0.67) MAPK1ALDH1A1KDM4EL3MBTL1
SCHEMBL9951847 0.85 KDM4E (0.47) MAPK1PLAUALDH1A1KDM4EL3MBTL1
SCHEMBL694862 0.83 PKM (0.67) PKMMAPK1TSHRTP53PLA2G4B
SCHEMBL7602449 0.82 MAPT (0.51) MAPK1L3MBTL1
SCHEMBL5795265 0.81 MAPT (0.58) PKMMAPK1ALDH1A1KDM4EL3MBTL1
SCHEMBL20148112 0.81 PKM (0.72) PKMMAPK1TSHRTP53PLA2G4B
SCHEMBL662536 0.80 ALDH1A1 (0.43) ALDH1A1KDM4EL3MBTL1
SCHEMBL662535 0.80 ALDH1A1 (0.43) ALDH1A1KDM4EL3MBTL1
SCHEMBL1751411 0.80 MAPT (0.49) MAPK1ALDH1A1KDM4EL3MBTL1

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-20120115907-A1 NOVEL COMPOUNDS AS INHIBITORS OF RENIN CADILA HEALTHCARE LIMITED (IN) 2012-05-10 US disclosed
EP-2421828-A2 PIPERIDINE DERIVATIVES AS INHIBITORS OF RENIN Cadila Healthcare Limited (IN) 2012-02-29 EP disclosed
WO-2010122580-A2 NOVEL COMPOUNDS AS INHIBITORS OF RENIN CADILA HEALTHCARE LIMITED (IN) 2010-10-28 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-20120115907-A1 NOVEL COMPOUNDS AS INHIBITORS OF RENIN REN, ACE, AGTR1 PKM 543/4885MAPK1 170/4885TSHR 3303/4885

“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.