SCHEMBL950050

SCHEMBL950050

CCCC([C]=O)Oc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.41
PPARA Q07869 3/20 0.41
LTA4H P09960 2/20 0.39
CHRM1 P11229 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
SLC6A4 P31645 1/20 0.38
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
POLB P06746 1/20 0.36
ALOX5 P09917 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KDM4C Q9H3R0 1/20 0.35

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
SCHEMBL1500501 0.93 LTA4H (0.43) PPARGPPARALTA4HCHRM1TDP1
SCHEMBL8907429 0.89 ALDH1A1 (0.42) LTA4HCHRM1SLC6A4ALDH1A1LMNA
SCHEMBL11578028 0.89 ALDH1A1 (0.42) LTA4HCHRM1SLC6A4ALDH1A1LMNA
SCHEMBL11617114 0.89 ALDH1A1 (0.42) LTA4HCHRM1SLC6A4ALDH1A1LMNA
SCHEMBL945944 0.85 CHRM1 (0.41) PPARGPPARALTA4HCHRM1TDP1
SCHEMBL8888732 0.82 PPARA (0.41) PPARGPPARASLC6A4
SCHEMBL8890005 0.80 KMT2A (0.44) SLC6A4ALDH1A1LMNASMN1; SMN2
SCHEMBL5092064 0.78 ANPEP (0.41) CHRM1MTNR1AMTNR1BPOLBLMNA
SCHEMBL626388 0.77 MEN1 (0.42) PPARGPPARALTA4HCHRM1MTNR1A
SCHEMBL8888223 0.75 MMP13 (0.44) SLC6A4

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
CN-110914222-A Mixtures comprising herbicides and nitrification inhibitors, such as 2- (3, 4-dimethyl-1H-pyrazol-1-yl) succinic acid (DMPSA) or 3, 4-dimethylpyrazolium glycolate (DMPG) 巴斯夫欧洲公司 2020-03-24 CN claimed
US-7989446-B2 4-amino 5-cyanopyrimidine derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-08-02 US disclosed
US-20110009620-A1 4-Amino-5-cyanopyrimidine derivatives OTSUKA PHARMACEUTICAL CO., LTD. 2011-01-13 US disclosed
US-7834002-B2 4-amino-5-cyanopyrimidine derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-11-16 US disclosed
US-20080182854-A1 4-Amino-5-Cyanopyrimidine Derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-07-31 US disclosed
EP-1740574-B1 4-AMINO-5-CYANOPYRIMIDINE DERIVATIVES OTSUKA PHARMA CO LTD (JP) 2007-06-27 EP disclosed
EP-1740574-A2 4-AMINO-5-CYANOPYRIMIDINE DERIVATIVES Otsuka Pharmaceutical Company, Limited (JP) 2007-01-10 EP disclosed
WO-2005105778-A2 4-AMINO-5-CYANOPYRIMIDINE DERIVATIVES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-11-10 WO disclosed
EP-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 EP disclosed
US-4497738-A Analogous compounds of cephalosporins, processes for the preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1985-02-05 US disclosed
EP-0017138-B1 ANALOGOUS COMPOUNDS OF CEPHALOSPORINS, PROCESSES FOR THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITION CONTAINING THEM FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-07-04 EP disclosed
EP-0070575-A2 New starting compounds for preparing analogous compounds of cephalosporins and processes for their preparation FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1983-01-26 EP disclosed
US-4339449-A Analogous compounds of cephalosporins, and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL COMPANY, LIMITED (JP) 1982-07-13 US disclosed
EP-0017138-A2 Analogous compounds of cephalosporins, processes for their preparation, and pharmaceutical composition containing them FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1980-10-15 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 (2 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-20110009620-A1 4-Amino-5-cyanopyrimidine derivatives ADORA2A, ADORA1, ADORA3 PPARG 442/4885PPARA 994/4885LTA4H 1110/4885
US-20080182854-A1 4-Amino-5-Cyanopyrimidine Derivatives ADORA2A, ADORA1, ADORA3 PPARG 442/4885PPARA 994/4885LTA4H 1110/4885

“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.