SCHEMBL18018247

SCHEMBL18018247

O=c1[nH]c(=O)c2c([nH]1)oc1ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HCAR2 Q8TDS4 10/20 0.45
▸ KDM4E B2RXH2 4/20 0.44
▸ CA12 O43570 1/20 0.44
▸ PARP1 P09874 1/20 0.44
▸ CA9 Q16790 1/20 0.44
▸ MAOA P21397 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ GLA P06280 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ PGAM1 P18669 1/20 0.44
▸ CASP1 P29466 1/20 0.44
▸ CASP7 P55210 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ S100A4 P26447 1/20 0.41
▸ DAO P14920 1/20 0.40

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
SCHEMBL2002523 0.74 KDM4E (0.52) KDM4ECA12PARP1CA9MAOA
SCHEMBL31606608 0.72 ALDH1A1 (0.44) KDM4EMAOAALDH1A1GLACYP3A4
SCHEMBL15024931 0.72 ALDH1A1 (0.44) KDM4EMAOAALDH1A1GLACYP3A4
SCHEMBL1309845 0.71 ERCC5 (0.54) KDM4ECA12PARP1CA9MAOA
SCHEMBL9768431 0.70 MAP3K11 (0.49) KDM4ECA12PARP1CA9MAOA
SCHEMBL12838299 0.70 MAOA (0.41) KDM4ECA12CA9MAOAALDH1A1
SCHEMBL1520200 0.69 L3MBTL1 (0.40) KDM4ECA12PARP1CA9MAOA
SCHEMBL19824410 0.68 KDM4E (0.53) KDM4ECA12PARP1CA9MAOA
SCHEMBL30900701 0.68 L3MBTL1 (0.62) KDM4ECA12CA9MAOAALDH1A1
Carsalam SCHEMBL26521 0.67 OGT (0.57) KDM4ECA12PARP1CA9MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160240791-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE AND ORGANIC OPTOELECTRONIC DEVICE AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2016-08-18 — — US disclosed
US-20160240791-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE AND ORGANIC OPTOELECTRONIC DEVICE AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2016-08-18 — — US 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-20160240791-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE AND ORGANIC OPTOELECTRONIC DEVICE AND DISPLAY DEVICE OR10J3, OXER1, OCIAD1 HCAR2 2139/4885KDM4E 4054/4885CA12 518/4885

“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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