SCHEMBL6656965

SCHEMBL6656965

CC#CCOc1ccc(OCC(=O)OCC)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.59
NPSR1 Q6W5P4 1/20 0.59
KDM4E B2RXH2 3/20 0.49
HSD17B10 Q99714 2/20 0.49
HPGD P15428 2/20 0.49
ALDH1A1 P00352 2/20 0.49
MAPT P10636 2/20 0.49
TP53 P04637 1/20 0.49
POLB P06746 2/20 0.48
TBXAS1 P24557 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PTPN1 P18031 1/20 0.46
PPARG P37231 1/20 0.46
PPARA Q07869 1/20 0.46
ADAM17 P78536 3/20 0.45
MMP1 P03956 1/20 0.45
MMP2 P08253 1/20 0.45
MMP9 P14780 1/20 0.45
MMP13 P45452 1/20 0.45
MMP14 P50281 1/20 0.45

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
SCHEMBL6657063 0.84 FAAH (0.52) MAPTSMN1; SMN2
SCHEMBL6267555 0.81 ADAM17 (0.48) GAANPSR1KDM4EHSD17B10HPGD
SCHEMBL11815554 0.81 GAA (0.72) GAANPSR1KDM4EHSD17B10HPGD
SCHEMBL19543263 0.81 LMNA (0.56) GAAHSD17B10HPGDALDH1A1MAPT
SCHEMBL6265557 0.80 KMT2A (0.59) GAANPSR1ADAM17MMP1MMP2
SCHEMBL6661575 0.80 ALOX15 (0.55) ALDH1A1MAPTSMN1; SMN2ADAM17MMP1
SCHEMBL654389 0.80 GAA (0.66) GAANPSR1KDM4EHSD17B10HPGD
SCHEMBL11550281 0.80 GAA (0.70) GAANPSR1KDM4EHSD17B10HPGD
SCHEMBL9267668 0.80 GAA (0.70) GAANPSR1KDM4EHSD17B10HPGD
SCHEMBL1107148 0.80 GAA (0.70) GAANPSR1KDM4EHSD17B10HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6825354-B2 OSTEOPOROSIS; RHEUMATIC DISEASES WYETH HOLDINGS CORPORATION 2004-11-30 US disclosed
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 GAA 101/4885NPSR1 3969/4885KDM4E 2690/4885

“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.