SCHEMBL7566937

SCHEMBL7566937

CCCCOC(=O)C(O)OCCCC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.52
ATM Q13315 1/20 0.48
TSHR P16473 6/20 0.45
HPGD P15428 1/20 0.45
LMNA P02545 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2C19 P33261 2/20 0.43
ESR1 P03372 1/20 0.43
CYP2D6 P10635 1/20 0.43
MAPK1 P28482 1/20 0.43
NR1H2 P55055 1/20 0.43
RNASEL Q05823 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HCAR2 Q8TDS4 1/20 0.42
NAAA Q02083 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
PDE4D Q08499 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL7412284 0.89 ALDH1A1 (0.58) ALDH1A1ATMTSHRHPGDLMNA
SCHEMBL1547992 0.89 ALDH1A1 (0.58) ALDH1A1ATMTSHRHPGDLMNA
SCHEMBL8637991 0.89 ALDH1A1 (0.58) ALDH1A1ATMTSHRHPGDLMNA
SCHEMBL10731279 0.89 ALDH1A1 (0.58) ALDH1A1ATMTSHRHPGDLMNA
SCHEMBL74371 0.89 ALDH1A1 (0.58) ALDH1A1ATMTSHRHPGDLMNA
SCHEMBL10731267 0.86 ALDH1A1 (0.56) ALDH1A1ATMTSHRHPGDLMNA
Butanedione SCHEMBL2230282 0.83 ALDH1A1 (0.58) ALDH1A1ATMTSHRHPGDLMNA
SCHEMBL370998 0.82 NAAA (0.56) ALDH1A1ATMTSHRLMNAMAPK1
SCHEMBL30525457 0.82 NAAA (0.56) ALDH1A1ATMTSHRLMNAMAPK1
SCHEMBL7567442 0.82 HCAR2 (0.39) ALDH1A1ATMTSHRLMNAESR1

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 17 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-0863131-B1 Acrylic monomers, polymers thereof and crosslinking compositions DAINIPPON INK & CHEMICALS (JP) 2000-05-17 EP disclosed
EP-0976738-A2 Propylene ureas and the process for their preparation DAINIPPON INK AND CHEMICALS, INC. (JP) 2000-02-02 EP disclosed
EP-0863131-A1 Acrylic monomers, polymers thereof and crosslinking compositions DAINIPPON INK AND CHEMICALS, INC. (JP) 1998-09-09 EP disclosed
EP-0599198-A1 Process for the preparation of 5-arylhydantoins Chemie Linz GmbH (AT) 1994-06-01 EP disclosed
US-4770668-A FOR CELLULOSE FABRICS NATIONAL STARCH AND CHEMICAL CORPORATION (US) 1988-09-13 US 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 ALDH1A1 1778/4885ATM 1554/4885TSHR 2206/4885

“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.