SCHEMBL5132182

SCHEMBL5132182

CCCCCC(=O)OC(=O)c1ccccc1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.51
TSHR P16473 4/20 0.50
TDP1 Q9NUW8 3/20 0.50
NAAA Q02083 1/20 0.50
TP53 P04637 1/20 0.49
CYP3A4 P08684 1/20 0.49
MAPK1 P28482 1/20 0.49
ALDH1A1 P00352 4/20 0.47
KMT2A Q03164 3/20 0.47
HTT P42858 3/20 0.47
MEN1 O00255 2/20 0.47
MAPT P10636 1/20 0.47
ATM Q13315 1/20 0.47
KDM4E B2RXH2 2/20 0.47
RECQL P46063 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
HSD17B10 Q99714 2/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
POLB P06746 1/20 0.42

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
SCHEMBL1395745 0.98 NAAA (0.52) LMNATSHRTDP1NAAATP53
SCHEMBL27893206 0.98 NAAA (0.52) LMNATSHRTDP1NAAATP53
SCHEMBL27811461 0.98 NAAA (0.52) LMNATSHRTDP1NAAATP53
SCHEMBL5662533 0.98 NAAA (0.52) LMNATSHRTDP1NAAATP53
SCHEMBL28495462 0.97 NAAA (0.51) LMNATSHRTDP1NAAATP53
SCHEMBL28693859 0.97 NAAA (0.51) LMNATSHRTDP1NAAATP53
SCHEMBL28237215 0.97 NAAA (0.51) LMNATSHRTDP1NAAATP53
SCHEMBL11047101 0.97 NAAA (0.51) LMNATSHRTDP1NAAATP53
SCHEMBL28237089 0.97 NAAA (0.51) LMNATSHRTDP1NAAATP53
SCHEMBL239011 0.95 LMNA (0.52) LMNATSHRTDP1NAAATP53

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-102188331-B Hair or head skin cosmetics composite 株式会社太平洋 2016-08-31 CN disclosed
EP-1578757-B1 FLUOROGENIC ENZYME SUBSTRATES AND METHODS OF PREPARATION JANSSEN INFECTIOUS DISEASES BVBA (BE) 2014-10-22 EP disclosed
CN-102188331-A Hair or head skin cosmetics composite TAIHEIYOU CO LTD 2011-09-21 CN disclosed
US-7863428-B2 Fluorogenic enzyme substrates and methods of preparation TIBOTEC BVBA (BE) 2011-01-04 US disclosed
CN-101549157-A Acidic drug for curing toothache within one second DEYONG FU (CN) 2009-10-07 CN disclosed
US-20070037234-A1 fluorophores containing 2-(3H-4-oxo-6-n-pentyl-2-quinazolinyl)-4-n-pentylphenyl phosphate; hydrolases; improved cell permeability; photostability TIBOTEC BVBA (BE) 2007-02-15 US disclosed
CN-1226271-C Synthesis method of barascamphor salicylatel isobaras camphor salicylate and its derivative CHANGCHUN APPLIED CHEMISTRY (CN) 2005-11-09 CN disclosed
US-6909012-B2 Diflunisal esters and related compounds UNIVERSITY OF QUEENSLAND (AU) 2005-06-21 US disclosed
US-20030220497-A1 Novel diflunisal esters and related compounds THE UNIVERSITY OF QUEENSLAND 2003-11-27 US disclosed
US-6593365-B1 Method for treating and/or controlling thrombosis in a mammal, comprising administering to a mammal in need thereof an effective dosage of a compound having the formula: THE UNIVERSITY OF QUEENSLAND (AU) 2003-07-15 US disclosed
CN-1410414-A Synthesis method of barascamphor salicylatel isobaras camphor salicylate and its derivative CHANGCHUN APPLIED CHEMISTRY (CN) 2003-04-16 CN disclosed
CN-1232672-A Compound arthritis curing capsule LIU ZEHUA (CN) 1999-10-27 CN disclosed
WO-1998046234-A1 NOVEL DIFLUNISAL ESTERS AND RELATED COMPOUNDS THE UNIVERSITY OF QUEENSLAND (AU) 1998-10-22 WO disclosed
CN-1145582-A Low pH, hydrolytically stable, cosmetic compsn. containing acidic actives PROCTER & GAMBLE (US) 1997-03-19 CN 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-20070037234-A1 fluorophores containing 2-(3H-4-oxo-6-n-pentyl-2-quinazolinyl)-4-n-pentylphenyl phosphate; hydrolases; improved cell permeability; photostability DNPEP, HEXD, NPEPPS LMNA 2068/4885TSHR 4544/4885TDP1 590/4885
US-20030220497-A1 Novel diflunisal esters and related compounds HPGDS, ALOX12, ALOX15 LMNA 3910/4885TSHR 3834/4885TDP1 3141/4885

“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.