SCHEMBL4516541

SCHEMBL4516541

CC(=O)C(=CNc1ccccc1)C(C)=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAPRT Q6XQN6 1/20 0.54
HSD17B10 Q99714 1/20 0.54
ALDH1A1 P00352 6/20 0.49
HPGD P15428 2/20 0.49
HTT P42858 1/20 0.49
RECQL P46063 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.47
MAPT P10636 3/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
KMT2A Q03164 2/20 0.47
TAAR1 Q96RJ0 1/20 0.47
POLB P06746 1/20 0.47
DHODH Q02127 2/20 0.45
CYP3A4 P08684 1/20 0.45
ALOX5 P09917 1/20 0.45
TSHR P16473 1/20 0.45
KDM4E B2RXH2 2/20 0.45
GAA P10253 2/20 0.44
NFKB1 P19838 1/20 0.44

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
SCHEMBL26257067 0.89 KMT2A (0.53) HSD17B10ALDH1A1HPGDHTTRECQL
SCHEMBL2035494 0.83 ALDH1A1 (0.50) NAPRTHSD17B10ALDH1A1HPGDHTT
SCHEMBL18854079 0.82 DHODH (0.67) ALDH1A1HPGDMAPTKMT2ADHODH
SCHEMBL21480785 0.81 ALDH1A1 (0.45) NAPRTHSD17B10ALDH1A1HPGDHTT
SCHEMBL1733300 0.80 SMN1; SMN2 (0.61) ALDH1A1HPGDHTTRECQLSMN1; SMN2
SCHEMBL26257078 0.80 PKM (0.46) HSD17B10ALDH1A1HPGDHTTRECQL
SCHEMBL18871131 0.80 ALDH1A1 (0.46) NAPRTHSD17B10ALDH1A1HPGDHTT
SCHEMBL9380483 0.79 AKR1C3 (0.50) NAPRTHSD17B10ALDH1A1HPGDHTT
SCHEMBL27296701 0.78 KMT2A (0.38) NAPRTHSD17B10ALDH1A1HPGDHTT
SCHEMBL10412163 0.78 ALDH1A1 (0.48) NAPRTHSD17B10ALDH1A1HPGDHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108912001-B Catalytic synthesis method of 1, 3-dicarbonyl compound 华侨大学 2021-03-23 CN disclosed
US-20090298889-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING 2-PYRIDONE DERIVATIVES AS EFFECTIVE COMPONENTS SATO PHARMACEUTICAL CO., LTD. (JP) 2009-12-03 US disclosed
EP-1897870-A1 PHARMACEUTICAL COMPOSITION COMPRISING 2-PYRIDONE DERIVATIVE AS ACTIVE INGREDIENT Sato Pharmaceutical Co. Ltd. (JP) 2008-03-12 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-20090298889-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING 2-PYRIDONE DERIVATIVES AS EFFECTIVE COMPONENTS LTB4R2, LTB4R, CD4 NAPRT 1229/4885HSD17B10 1341/4885ALDH1A1 436/4885

“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.