SCHEMBL6695161

SCHEMBL6695161

CC(=O)C(CCc1ccccc1)C(C)=O

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.55
▸ TSHR P16473 1/20 0.53
▸ MMP8 P22894 2/20 0.51
▸ SMN1; SMN2 Q16637 3/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ HTT P42858 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ HPGD P15428 1/20 0.50
▸ CNR2 P34972 1/20 0.49
▸ KEAP1 Q14145 1/20 0.48
▸ ANPEP P15144 2/20 0.47
▸ ERAP1 Q9NZ08 2/20 0.47
▸ ERAP2 Q6P179 1/20 0.47
▸ NPC1 O15118 1/20 0.46
▸ RAB9A P51151 1/20 0.46

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
SCHEMBL2569812 0.94 ALDH1A1 (0.53) ALDH1A1TSHRMMP8SMN1; SMN2MEN1
SCHEMBL18424616 0.89 ALDH1A1 (0.48) ALDH1A1TSHRMMP8SMN1; SMN2MEN1
SCHEMBL5846343 0.88 HDAC3 (0.52) ALDH1A1TSHRMMP8SMN1; SMN2KMT2A
SCHEMBL8990085 0.86 ALDH1A1 (0.46) ALDH1A1TSHRMMP8SMN1; SMN2MEN1
SCHEMBL7061793 0.86 TSHR (0.49) ALDH1A1TSHRMMP8SMN1; SMN2MEN1
SCHEMBL2291948 0.85 MMP8 (0.56) ALDH1A1TSHRMMP8SMN1; SMN2CNR2
SCHEMBL2427317 0.84 MMP8 (0.54) ALDH1A1TSHRMMP8SMN1; SMN2MEN1
SCHEMBL7059676 0.84 ALDH1A1 (0.56) ALDH1A1TSHRMMP8SMN1; SMN2KMT2A
SCHEMBL7062265 0.84 HCAR2 (0.47) ALDH1A1TSHRMMP8SMN1; SMN2HPGD
SCHEMBL7060890 0.83 TSHR (0.50) ALDH1A1TSHRMMP8SMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100425636-C Polyalkylene terephthalate and process for producing the same ASAHI CHEMICAL CORP (JP) 2008-10-15 — — CN disclosed
US-20080171792-A1 Use of highly concentrated formulations of 4-phenylbutyrate for treatment of certain disorders PROVIDENT BANK 2008-07-17 — — US disclosed
US-20070004805-A1 Process for preparation of liquid dosage form containing sodium 4-phenylbutyrate NAVINTA LLC 2007-01-04 — — US disclosed
CN-1867606-A Process for producing polyalkylene terephthalate, process for producing polyalkylene terephthalate molding and polyalkylene terephthalate molding ASAHI CHEMICAL CORP (JP) 2006-11-22 — — CN disclosed
WO-2004096808-A1 TRIAZINE COMPOUNDS AND THEIR USE DE NOVO PHARMACEUTICALS LIMITED (GB) 2004-11-11 — — WO 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-20070004805-A1 Process for preparation of liquid dosage form containing sodium 4-phenylbutyrate PDHB, CYP4B1, GABRB1 ALDH1A1 1000/4885TSHR 4134/4885MMP8 4616/4885
US-20080171792-A1 Use of highly concentrated formulations of 4-phenylbutyrate for treatment of certain disorders SMN1; SMN2, ABAT, PMP22 ALDH1A1 991/4885TSHR 4792/4885MMP8 3873/4885

“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.

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