SCHEMBL6318478

SCHEMBL6318478

COc1cc(OCCC[C]=O)ccc1CNc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 2/20 0.46
PPARA Q07869 2/20 0.45
MAOB P27338 4/20 0.45
APLNR P35414 1/20 0.43
PPARG P37231 1/20 0.42
PPARD Q03181 1/20 0.42
CYP1A2 P05177 3/20 0.42
CYP3A4 P08684 3/20 0.42
CYP2D6 P10635 3/20 0.42
TSHR P16473 3/20 0.42
CYP2C19 P33261 3/20 0.42
USP2 O75604 2/20 0.42
MAPK1 P28482 2/20 0.42
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
MAPT P10636 1/20 0.41
ALOX12 P18054 1/20 0.41
DHFR P00374 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL6318483 0.83 HIF1A (0.46) HIF1APPARAMAOBAPLNRPPARG
SCHEMBL11983159 0.80 APLNR (0.65) HIF1AMAOBAPLNRCYP1A2CYP3A4
SCHEMBL1552422 0.78 PDCD1 (0.40) MAOBAPLNR
SCHEMBL11887416 0.74 HIF1A (0.48) HIF1APPARAMAOBAPLNRCYP1A2
SCHEMBL27948920 0.72 APLNR (0.69) HIF1AAPLNRMAPK1ALOX15HSD17B10
SCHEMBL426334 0.70 ALDH1A1 (0.59) MAOBCYP1A2TSHRMAPTALDH1A1
SCHEMBL10388545 0.70 HIF1A (0.74) HIF1ATSHRMAPK1ALOX15MAPT
SCHEMBL30287924 0.70 HIF1A (0.74) HIF1ATSHRMAPK1ALOX15MAPT
SCHEMBL21639656 0.69 CA1 (0.72) HIF1APPARAAPLNRCYP1A2CYP3A4
SCHEMBL5255405 0.68 GAA (0.45) MAPTALDH1A1

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
US-20050059657-A1 Aminoisoxazole derivatives active as kinase inhibitors PFIZER ITALIA S.R.L. (IT) 2005-03-17 US disclosed
EP-1435948-A1 AMINOISOXAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS Pharmacia Italia S.p.A. (IT) 2004-07-14 EP disclosed
WO-2003013517-A1 AMINOISOXAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS PHARMACIA ITALIA S.P.A. (IT) 2003-02-20 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 (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-20050059657-A1 Aminoisoxazole derivatives active as kinase inhibitors MAP3K9, MAP3K19, MAP4K2 HIF1A 3267/4885PPARA 1787/4885MAOB 1851/4885

“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.