SCHEMBL4672907

SCHEMBL4672907

COc1ccc(Cn2cc(C(=O)C=C(O)C(=O)O)cn2)cc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.51
KLKB1 P03952 4/20 0.48
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
HSD17B10 Q99714 1/20 0.43
ERCC5 P28715 2/20 0.43
SNCA P37840 1/20 0.43
ALKBH1 Q13686 1/20 0.42
UCHL1 P09936 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
EGLN1 Q9GZT9 1/20 0.41
NPBWR1 P48145 2/20 0.40
FEN1 P39748 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
SCHEMBL4676350 0.86 KLKB1 (0.49) L3MBTL1KLKB1RAB9AHSD17B10
SCHEMBL4677429 0.85 HSD17B10 (0.48) L3MBTL1KLKB1MEN1KMT2AHSD17B10
SCHEMBL4673827 0.85 HSD17B10 (0.47) L3MBTL1KLKB1HSD17B10LMNAMAPT
SCHEMBL4673770 0.85 KLKB1 (0.48) L3MBTL1KLKB1HSD17B10
SCHEMBL4674509 0.84 LMNA (0.51) KLKB1HSD17B10LMNAMAPT
SCHEMBL369349 0.83 L3MBTL1 (0.58) L3MBTL1KLKB1MEN1KMT2ANPC1
SCHEMBL4671469 0.83 HSD17B10 (0.44) L3MBTL1KLKB1HSD17B10ERCC5LMNA
Hydrochloric Acid SCHEMBL31549317 0.82 L3MBTL1 (0.57) L3MBTL1KLKB1MEN1KMT2ANPC1
SCHEMBL370361 0.81 L3MBTL1 (0.58) L3MBTL1KLKB1MEN1KMT2ANPC1
SCHEMBL17454410 0.81 L3MBTL1 (0.58) L3MBTL1KLKB1MEN1KMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1142872-B1 AROMATIC HETEROCYCLE COMPOUNDS HAVING HIV INTEGRASE INHIBITING ACTIVITIES SHIONOGI & CO (JP) 2008-10-15 EP disclosed
US-7098201-B2 Heteroaromatic derivatives having an inhibitory activity against HIV integrase SHIONOGI & CO., LTD. (JP) 2006-08-29 US disclosed
US-20040002485-A1 Heteroaromatic derivatives having an inhibitory activity against HIV integrase FUJISHITA TOSHIO (JP) 2004-01-01 US disclosed
US-6645956-B1 1-(5-(4-fluorobenzyl)furan-2-yl)-3-hydroxy-3-(1H-1,2,4-triazol-3 -yl)-propenone; viricides; AIDS treatment SHIONOGI & CO., LTD. (JP) 2003-11-11 US disclosed
US-6620841-B1 Furan or benzofuran derivatives substituted with triazole; acquired immunodeficiency syndrome (AIDS) SHIONOGI & CO., LTD. (JP) 2003-09-16 US disclosed
CN-1335834-A Aromatic heterocyclic compounds having HIV integrase inhibitory activity SHIONOGI & CO (JP) 2002-02-13 CN disclosed
EP-1142872-A1 AROMATIC HETEROCYCLE COMPOUNDS HAVING HIV INTEGRASE INHIBITING ACTIVITIES SHIONOGI & CO., LTD. (JP) 2001-10-10 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-20040002485-A1 Heteroaromatic derivatives having an inhibitory activity against HIV integrase RCOR1, BCOR, CYP8B1 L3MBTL1 1170/4885KLKB1 3843/4885MEN1 4663/4885

“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.