SCHEMBL4693074

SCHEMBL4693074

CCCC(=O)C(CCc1ccccc1)C(=O)OCC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.50
MMP8 P22894 1/20 0.50
TDP1 Q9NUW8 4/20 0.48
MAPT P10636 1/20 0.46
PRSS1 P07477 1/20 0.45
CTSG P08311 1/20 0.45
CTRB1 P17538 1/20 0.45
CMA1 P23946 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
POLB P06746 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
ALDH1A1 P00352 1/20 0.42
TP53 P04637 1/20 0.42
ALOX5 P09917 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 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
SCHEMBL7060674 0.92 TDP1 (0.49) SMN1; SMN2MMP8TDP1MAPTL3MBTL1
SCHEMBL7055434 0.88 PRSS1 (0.48) SMN1; SMN2MMP8TDP1MAPTPRSS1
SCHEMBL7058697 0.88 MMP8 (0.52) SMN1; SMN2MMP8TDP1MAPTL3MBTL1
SCHEMBL935980 0.88 TDP1 (0.59) SMN1; SMN2MMP8TDP1MAPTL3MBTL1
SCHEMBL7309709 0.86 MMP8 (0.56) SMN1; SMN2MMP8TDP1MAPTL3MBTL1
SCHEMBL8904082 0.86 PRSS1 (0.50) SMN1; SMN2MMP8PRSS1CTSGCTRB1
SCHEMBL1522685 0.85 MMP8 (0.64) SMN1; SMN2MMP8TDP1L3MBTL1POLB
SCHEMBL7061417 0.84 SMN1; SMN2 (0.52) SMN1; SMN2MMP8TDP1MAPTL3MBTL1
SCHEMBL2427317 0.83 MMP8 (0.54) SMN1; SMN2MMP8TDP1MAPTL3MBTL1
SCHEMBL7761925 0.82 TDP1 (0.54) SMN1; SMN2MMP8TDP1MAPTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080188494-A1 Use Of 5-Alkyl-6-Phenylalkyl-7-Aminoazolopyrimidines, Novel Azolopyrimidines, Processes For Their Preparation And Compositions Comprising Them BASF AKTIENGESELLSCHAFT (DE) 2008-08-07 US disclosed
EP-1876899-A2 USE OF 5-ALKYL-6-PHENYLALKYL-7-AMINO-AZOLOPYRIMIDINES, NOVEL AZOLOPYRIMIDINES, METHODS FOR THE PRODUCTION THEREOF, AND AGENTS CONTAINING THE SAME BASF AKTIENGESELLSCHAFT (DE) 2008-01-16 EP disclosed
WO-2006114405-A2 USE OF 5-ALKYL-6-PHENYLALKYL-7-AMINO-AZOLOPYRIMIDINES, NOVEL AZOLOPYRIMIDINES, METHODS FOR THE PRODUCTION THEREOF, AND AGENTS CONTAINING THE SAME BASF AKTIENGESELLSCHAFT (DE) 2006-11-02 WO disclosed
EP-0937703-B1 METHOD FOR PURIFYING PYRUVIC ACID COMPOUNDS SUMITOMO CHEMICAL CO (JP) 2003-05-21 EP disclosed
US-6348617-B1 REACTING PYRUVIC ACID COMPOUND IN WATER WITH AMMONIUM OR ALKALI METAL BISULFITE TO GIVE AQUEOUS SOLUTION OF BISULFITE ADDUCT, ISOLATING BY PHASE SEPARATION, OPTIONALLY USING HYDROPHOBIC SOLVENT, CONTACTING WITH ACID TO DECOMPOSE ADDUCT SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-02-19 US disclosed
EP-0937703-A1 METHOD FOR PURIFYING PYRUVIC ACID COMPOUNDS SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1999-08-25 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-20080188494-A1 Use Of 5-Alkyl-6-Phenylalkyl-7-Aminoazolopyrimidines, Novel Azolopyrimidines, Processes For Their Preparation And Compositions Comprising Them RRM2, PNP, NT5C3B SMN1; SMN2 3970/4885MMP8 2357/4885TDP1 1033/4885

“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.