SCHEMBL1839953

SCHEMBL1839953

CCc1ccc(O)c(O)c1C=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.41
GABRB2 P47870 1/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 1/20 0.41
AOX1 Q06278 1/20 0.41
TRIM24 O15164 1/20 0.40
TRIM33 Q9UPN9 1/20 0.40
PRKCI P41743 1/20 0.38
ERN1 O75460 2/20 0.38
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
HSP90AA1 P07900 1/20 0.37
HSP90AB1 P08238 1/20 0.37
USP2 O75604 1/20 0.37
CYP3A4 P08684 1/20 0.37
PADI4 Q9UM07 1/20 0.36

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
SCHEMBL3964598 0.87 GABRA1 (0.50) GABRA1GABRB2ALDH1A1KDM4EMEN1
SCHEMBL952797 0.82 ESR1 (0.36) GABRA1GABRB2ALDH1A1KDM4EHPGD
SCHEMBL29459661 0.77 ERN1 (0.50) KDM4ETRIM24TRIM33ERN1CYP3A4
SCHEMBL1002739 0.77 ERN1 (0.50) KDM4ETRIM24TRIM33ERN1CYP3A4
SCHEMBL12775744 0.76 MEN1 (0.42) ALDH1A1KDM4EMEN1LMNAHPGD
SCHEMBL1527075 0.75 GABRA1 (0.52) GABRA1GABRB2TRIM24TRIM33ERN1
SCHEMBL29951885 0.75 GABRA1 (0.52) GABRA1GABRB2TRIM24TRIM33ERN1
SCHEMBL2475390 0.75 GABRA1 (0.56) GABRA1GABRB2PRKCIESR1ESR2
SCHEMBL29719025 0.75 GABRA1 (0.56) GABRA1GABRB2PRKCIESR1ESR2
SCHEMBL4650198 0.74 CYP3A4 (0.44) ALDH1A1KDM4ELMNAERN1USP2

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
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-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 GABRA1 3922/4885GABRB2 4662/4885ALDH1A1 404/4885

“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.