SCHEMBL1842452

SCHEMBL1842452

Clc1cc(OCc2ccccc2)cc(OCc2ccccc2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
MRGPRX4 Q96LA9 1/20 0.58
MAOB P27338 6/20 0.56
ALOX5 P09917 1/20 0.55
CYP1A2 P05177 2/20 0.53
LMNA P02545 1/20 0.53
PTGS1 P23219 1/20 0.53
SLC6A2 P23975 1/20 0.53
CYP2C19 P33261 1/20 0.53
PTGS2 P35354 1/20 0.53
SLC6A3 Q01959 1/20 0.53
HIF1A Q16665 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
GAA P10253 1/20 0.52
MAPT P10636 1/20 0.52
MAOA P21397 1/20 0.52
RAB9A P51151 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52

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
SCHEMBL4933216 0.96 MRGPRX4 (0.63) MEN1KMT2AMRGPRX4MAOBALOX5
SCHEMBL4852115 0.91 MAOB (0.67) MEN1KMT2AMRGPRX4MAOBALOX5
SCHEMBL4674930 0.89 MEN1 (0.70) MEN1KMT2AMAOBALOX5CYP1A2
SCHEMBL29142397 0.89 CYP1A2 (0.58) MEN1KMT2AMRGPRX4MAOBALOX5
SCHEMBL347904 0.87 MAOB (0.62) MEN1KMT2AMRGPRX4MAOBALOX5
SCHEMBL15903046 0.87 MAOB (0.62) MEN1KMT2AMRGPRX4MAOBALOX5
SCHEMBL30884548 0.87 MRGPRX4 (0.55) MEN1KMT2AMRGPRX4MAOBALOX5
SCHEMBL7316282 0.86 MRGPRX4 (0.54) MEN1KMT2AMRGPRX4MAOBALOX5
SCHEMBL15907337 0.84 MRGPRX4 (0.49) MEN1KMT2AMRGPRX4MAOBALOX5
SCHEMBL3823697 0.84 RXRA (0.69) MAOBALOX5CYP1A2CYP2C19MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1984324-B1 MANDELIC HYDRAZIDES MERCK PATENT GMBH (DE) 2011-05-18 EP disclosed
US-7776920-B2 Mandelic hydrazides MERCK PATENT GMBH (DE) 2010-08-17 US disclosed
US-7776920-B2 Mandelic hydrazides MERCK PATENT GMBH (DE) 2010-08-17 US disclosed
US-20090221712-A1 MANDELIC HYDRAZIDES MERCK PATENT GESELLSCHAFT (DE) 2009-09-03 US disclosed
US-20090221712-A1 MANDELIC HYDRAZIDES MERCK PATENT GESELLSCHAFT (DE) 2009-09-03 US disclosed
EP-1984324-A1 MANDELIC HYDRAZIDES Merck Patent GmbH (DE) 2008-10-29 EP disclosed
WO-2007093264-A1 MANDELIC HYDRAZIDES MERCK PATENT GMBH (DE) 2007-08-23 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-20090221712-A1 MANDELIC HYDRAZIDES HK1, GLS, AGK MEN1 2368/4885KMT2A 1864/4885MRGPRX4 397/4885

“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.