SCHEMBL6656622

SCHEMBL6656622

CCOc1ccc(OC(C)=O)c(Sc2ccc(O)cc2)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.46
NPC1 O15118 2/20 0.46
HTT P42858 2/20 0.46
PKM P14618 1/20 0.46
RAB9A P51151 1/20 0.46
LTA4H P09960 1/20 0.42
KDM4E B2RXH2 4/20 0.42
PTGS2 P35354 6/20 0.41
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
APOBEC3G Q9HC16 1/20 0.38
EPHX1 P07099 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MAPT P10636 2/20 0.38
MAOB P27338 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.38
TP53 P04637 1/20 0.37
ALDH1A1 P00352 1/20 0.37
ALOX15 P16050 1/20 0.37

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
SCHEMBL6662578 0.85 BACE1 (0.46) LMNANPC1HTTPKMRAB9A
SCHEMBL6656710 0.83 PTGS2 (0.42) LMNANPC1HTTPKMRAB9A
SCHEMBL14368588 0.74 LTA4H (0.68) LMNALTA4HMEN1KMT2AMAPT
SCHEMBL3824163 0.74 MEN1 (0.45) LMNANPC1HTTKDM4EMEN1
SCHEMBL6660789 0.73 TMIGD3 (0.41)
SCHEMBL12166002 0.73 KDM4E (0.51) LMNANPC1HTTPKMRAB9A
SCHEMBL181472 0.73 KDM4E (0.51) LMNANPC1HTTPKMRAB9A
SCHEMBL6656957 0.72 ADAM17 (0.47) LMNANPC1HTTPKMRAB9A
Nitrogen SCHEMBL10788311 0.71 MAPT (0.43) LMNANPC1HTTKDM4EMEN1
Hydrochloric Acid SCHEMBL10814723 0.71 MAPT (0.43) LMNANPC1HTTKDM4EMEN1

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 LMNA 1621/4885NPC1 2375/4885HTT 2208/4885

“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.