SCHEMBL7567442

SCHEMBL7567442

CCCOC(=O)C(O)OCCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.39
ALDH1A1 P00352 4/20 0.38
LMNA P02545 1/20 0.36
TDP1 Q9NUW8 2/20 0.35
ESR1 P03372 1/20 0.35
CHRM1 P11229 1/20 0.35
TSHR P16473 1/20 0.35
SLC6A2 P23975 1/20 0.35
KDR P35968 1/20 0.35
HSD17B10 Q99714 1/20 0.34
HTT P42858 1/20 0.33
ATM Q13315 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
HDAC8 Q9BY41 1/20 0.32

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
SCHEMBL6414229 0.87 HCAR2 (0.43) HCAR2ALDH1A1LMNATDP1ESR1
SCHEMBL14672059 0.87 HCAR2 (0.43) HCAR2ALDH1A1LMNATDP1ESR1
SCHEMBL8636453 0.87 HCAR2 (0.43) HCAR2ALDH1A1LMNATDP1ESR1
SCHEMBL2866836 0.87 HCAR2 (0.43) HCAR2ALDH1A1LMNATDP1ESR1
Ammonia Solution, Strong SCHEMBL21219091 0.85 HCAR2 (0.41) HCAR2ALDH1A1LMNATDP1ESR1
SCHEMBL6990282 0.83 NAAA (0.35) HCAR2ALDH1A1LMNATDP1ESR1
SCHEMBL7566937 0.82 ALDH1A1 (0.52) HCAR2ALDH1A1LMNATDP1ESR1
SCHEMBL2859729 0.79 TSHR (0.46) HCAR2ALDH1A1LMNATDP1ESR1
SCHEMBL6496148 0.78 HCAR2 (0.40) HCAR2ALDH1A1LMNATDP1ESR1
SCHEMBL10625346 0.78 TSHR (0.39) ALDH1A1TSHRHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0976738-B1 Process for the preparation of propylene ureas DAINIPPON INK & CHEMICALS (JP) 2002-12-04 EP disclosed
US-6348594-B2 HARDENING OF POLYMERS DAINIPPON INK AND CHEMICALS, INC. (JP) 2002-02-19 US disclosed
US-20020004599-A1 PROPYLENE UREAS AND PROCESS FOR THEIR PREPARATION. DAINIPPON INK AND CHEMICALS, INC. (JP) 2002-01-10 US disclosed
EP-0976738-A2 Propylene ureas and the process for their preparation DAINIPPON INK AND CHEMICALS, INC. (JP) 2000-02-02 EP disclosed
EP-0599198-A1 Process for the preparation of 5-arylhydantoins Chemie Linz GmbH (AT) 1994-06-01 EP disclosed
US-4584387-A INTERMEDIATES FOR ALPHA-HYDROXY ALDEHYDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1986-04-22 US disclosed
EP-0050351-B1 OPTICALLY ACTIVE OR RACEMIC ALPHA-HYDROXYALDEHYDES AND BENZYL DERIVATIVES THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1985-03-27 EP disclosed
EP-0048501-B1 OPTICALLY ACTIVE OR RACEMIC DIAZABICYCLOOCTANE DERIVATIVES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1983-07-27 EP disclosed
US-4383122-A HYDROCARBOYL-1,3-DIAZABICYCLO(3.3.0)OCTANE, GRIGNARD REAGENT SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1983-05-10 US disclosed
EP-0011417-B1 OPTICALLY ACTIVE OR RACEMIC AMINAL DERIVATIVES, PROCESS FOR PREPARING SAME AND FOR CONVERTING SAME TO ALPHA-HYDROXYALDEHYDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1983-05-04 EP disclosed
US-4337346-A CONDENSATION OF A GLYOXAL WITH AN N-SUBSTITUTED AMINOMETHYLPYRROLIDINE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1982-06-29 US disclosed
EP-0050351-A1 Optically active or racemic alpha-hydroxyaldehydes and benzyl derivatives thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1982-04-28 EP disclosed
EP-0048501-A1 Optically active or racemic diazabicyclooctane derivatives SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1982-03-31 EP disclosed
EP-0011417-A1 Optically active or racemic aminal derivatives, process for preparing same and for converting same to alpha-hydroxyaldehydes SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1980-05-28 EP 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-20020004599-A1 PROPYLENE UREAS AND PROCESS FOR THEIR PREPARATION. UQCRB, URB2, ADH1C HCAR2 2685/4885ALDH1A1 1778/4885LMNA 1238/4885

“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.