SCHEMBL6656624

SCHEMBL6656624

CCOc1ccc(CC(=O)OSc2ccc(O)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.49
NLRP3 Q96P20 1/20 0.45
ALDH1A1 P00352 5/20 0.44
HPGD P15428 2/20 0.44
MAPT P10636 4/20 0.43
MAOB P27338 1/20 0.43
ABCG2 Q9UNQ0 1/20 0.43
SLC5A1 P13866 1/20 0.42
SLC5A2 P31639 1/20 0.42
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
POLB P06746 2/20 0.42
MAPK1 P28482 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
LMNA P02545 2/20 0.41
KDM4E B2RXH2 1/20 0.40
PARP10 Q53GL7 1/20 0.40
CNR2 P34972 1/20 0.39

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
SCHEMBL6662581 0.86 HTT (0.51) LTA4HALDH1A1HPGDMAPTNPC1
SCHEMBL6656714 0.83 ADAM17 (0.45) ALDH1A1HPGDMAPTNPC1RAB9A
SCHEMBL181473 0.74 HPGD (0.61) ALDH1A1HPGDMAPTNPC1RAB9A
SCHEMBL4986978 0.74 CYP4F2 (0.58) NLRP3ALDH1A1HPGDMAPTNPC1
SCHEMBL14368588 0.73 LTA4H (0.68) LTA4HMAPTMAOBABCG2TDP1
SCHEMBL6656959 0.73 ADAM17 (0.52) ALDH1A1TDP1L3MBTL1KDM4ECYP2C19
1-Hydroxy-4-Ethoxybenzene SCHEMBL28520 0.73 LTA4H (0.86) LTA4HMAPTMAOBABCG2NPC1
1-Hydroxy-4-Ethoxybenzene SCHEMBL12476725 0.73 LTA4H (0.86) LTA4HMAPTMAOBABCG2NPC1
SCHEMBL27622014 0.72 HSD17B3 (0.47) ALDH1A1SMN1; SMN2MAPK1TDP1LMNA
SCHEMBL6662479 0.72 ADAM17 (0.44) ALDH1A1MAPTMAOBRAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1147080-B1 ALKYNYL CONTAINING HYDROXAMIC ACID COMPOUNDS AS TACE INHIBITORS WYETH CORP (US) 2004-07-21 EP disclosed
US-20020147342-A1 Alkynyl containing hydroxamic acid compounds as matrix metalloproteinase and tace inhibitors AMERICAN CYANAMID COMPANY (US) 2002-10-10 US disclosed
US-6340691-B1 TREATMENT OF ARTHRITIS, TUMOR METASTASIS, TISSUE ULCERATION, ABNORMAL WOUND HEALING, PERIODONTAL DISEASE, BONE DISEASE, DIABETES (INSULIN RESISTANCE) AND HIV INFECTION AMERICAN CYANAMID COMPANY 2002-01-22 US disclosed
EP-1147080-A1 ALKYNYL CONTAINING HYDROXAMIC ACID COMPOUNDS AS TACE INHIBITORS American Cyanamid Company (US) 2001-10-24 EP disclosed
WO-2000044713-A1 ALKYNYL CONTAINING HYDROXAMIC ACID COMPOUNDS AS TACE INHIBITORS AMERICAN CYANAMID COMPANY (US) 2000-08-03 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-20020147342-A1 Alkynyl containing hydroxamic acid compounds as matrix metalloproteinase and tace inhibitors MMP12, MMP17, MMP14 LTA4H 577/4885NLRP3 1545/4885ALDH1A1 443/4885

“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.