SCHEMBL6657063

SCHEMBL6657063

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

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.52
BRD4 O60885 1/20 0.50
CYSLTR2 Q9NS75 1/20 0.50
CYSLTR1 Q9Y271 1/20 0.50
LTA4H P09960 6/20 0.48
MAPT P10636 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
PDK2 Q15119 1/20 0.45
PDE3B Q13370 1/20 0.45
PDE3A Q14432 1/20 0.45
P2RY12 Q9H244 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
SCHEMBL6656965 0.84 GAA (0.59) MAPTSMN1; SMN2
SCHEMBL6661623 0.82 L3MBTL1 (0.51)
SCHEMBL3267566 0.82 BRD4 (0.54) FAAHBRD4CYSLTR2CYSLTR1LTA4H
SCHEMBL6937314 0.82 MEN1 (0.62) FAAHBRD4CYSLTR2CYSLTR1LTA4H
Hydrochloric Acid SCHEMBL31742267 0.81 BRD4 (0.53) FAAHBRD4CYSLTR2CYSLTR1LTA4H
SCHEMBL8981963 0.80 BRD4 (0.56) BRD4CYSLTR2CYSLTR1LTA4HMAPT
SCHEMBL3466988 0.80 CYSLTR2 (0.59) FAAHBRD4CYSLTR2CYSLTR1LTA4H
SCHEMBL6328916 0.79 MAPT (0.55) FAAHBRD4CYSLTR2CYSLTR1LTA4H
SCHEMBL12549253 0.79 LTA4H (0.59) BRD4CYSLTR2CYSLTR1LTA4HMAPT
SCHEMBL3257350 0.79 BRD4 (0.54) FAAHBRD4CYSLTR2CYSLTR1LTA4H

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 FAAH 560/4885BRD4 2790/4885CYSLTR2 1506/4885

“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.