SCHEMBL7645232

SCHEMBL7645232

CCCOc1ccccc1C(=O)CC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.58
ABCB1 P08183 3/20 0.57
KMT2A Q03164 4/20 0.57
MEN1 O00255 3/20 0.57
TSHR P16473 2/20 0.57
HSD17B10 Q99714 2/20 0.57
USP2 O75604 1/20 0.57
LMNA P02545 3/20 0.55
MAPT P10636 2/20 0.55
NR1I2 O75469 1/20 0.55
CHRM2 P08172 1/20 0.55
CYP3A4 P08684 1/20 0.55
ADRA2A P08913 1/20 0.55
OPRK1 P41145 1/20 0.55
HTR2B P41595 1/20 0.55
SLC6A3 Q01959 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
ALDH1A1 P00352 6/20 0.54
TDP1 Q9NUW8 1/20 0.54
POLB P06746 1/20 0.54

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
SCHEMBL13430811 0.91 LMNA (0.62) KDM4EABCB1KMT2AMEN1TSHR
SCHEMBL11345796 0.88 LMNA (0.72) KDM4EABCB1KMT2AMEN1TSHR
SCHEMBL11441352 0.88 LMNA (0.72) KDM4EABCB1KMT2AMEN1TSHR
SCHEMBL5052356 0.86 LMNA (0.53) KDM4EKMT2AMEN1TSHRHSD17B10
SCHEMBL11883288 0.86 KDM4E (0.56) KDM4EABCB1KMT2AMEN1TSHR
SCHEMBL27823277 0.86 KDM4E (0.56) KDM4EABCB1KMT2AMEN1TSHR
SCHEMBL3029800 0.85 HCRTR1 (0.62) KDM4EABCB1KMT2AMEN1TSHR
SCHEMBL28812389 0.85 ABCB1 (0.55) KDM4EABCB1KMT2AMEN1TSHR
SCHEMBL3135517 0.84 LMNA (0.74) KDM4EABCB1KMT2AMEN1LMNA
SCHEMBL124950 0.84 ALDH1A1 (0.71) KDM4EKMT2AMEN1TSHRHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220265613-A1 OXAZOLE COMPOUND AND PHARMACEUTICAL COMPOSITION OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2022-08-25 US disclosed
CN-101309912-B Oxazole compound and pharmaceutical composition OTSUKA PHARMA CO LTD 2013-09-25 CN disclosed
US-7645771-B2 CCR5 antagonists as therapeutic agents SMITHKLINE BEECHAM CORP. (US) 2010-01-12 US disclosed
CN-101309912-A Oxazole compound and pharmaceutical composition OTSUKA PHARMA CO LTD (JP) 2008-11-19 CN disclosed
US-6479520-B1 REGULATING APOPTOSIS IN HUMAN CELLS WITH COMPOUNDS SUCH AS: 3-CYANO-6-(2-METHOXY-4-METHYLTHIOIPHENYL)-2(1H)-PYRIDINONE CELL PATHWAYS, INC. 2002-11-12 US disclosed
US-6046216-A USEFUL TO INHIBIT THE GROWTH OF NEOPLASTIC CELLS. CELL PATHWAYS, INC. (US) 2000-04-04 US disclosed
EP-0347027-B1 Phenylpyridone derivatives,processes for their preparation and pharmaceutical compositions containing them. SMITH KLINE FRENCH LAB (GB) 1994-08-03 EP disclosed
US-5254571-A Bronchodilators, antiallergens SMITH KLINE & FRENCH LABORATORIES LTD. (GB) 1993-10-19 US disclosed
EP-0347027-A2 Phenylpyridone derivatives,processes for their preparation and pharmaceutical compositions containing them. SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1989-12-20 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-20220265613-A1 OXAZOLE COMPOUND AND PHARMACEUTICAL COMPOSITION PDE3B, PDE4A, PDE3A KDM4E 1383/4885ABCB1 434/4885KMT2A 3157/4885

“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.