SCHEMBL6421241

SCHEMBL6421241

CCOC(=O)C=CCCCCCCc1ccc2cccnc2n1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.46
SUCNR1 Q9BXA5 13/20 0.42
ALDH1A1 P00352 1/20 0.41
FAAH O00519 2/20 0.39
CES1 P23141 1/20 0.39
DAGLA Q9Y4D2 1/20 0.39
OXGR1 Q96P68 2/20 0.38
BDKRB1 P46663 1/20 0.37
PPARA Q07869 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
SCHEMBL6421236 1.00 MAPT (0.46) MAPTSUCNR1ALDH1A1FAAHCES1
SCHEMBL22223260 0.81 SUCNR1 (0.42) SUCNR1FAAHCES1DAGLAOXGR1
SCHEMBL17921405 0.80 SUCNR1 (0.48) SUCNR1ALDH1A1OXGR1BDKRB1
SCHEMBL24194292 0.79 SUCNR1 (0.49) SUCNR1ALDH1A1OXGR1BDKRB1
SCHEMBL6265814 0.77 SUCNR1 (0.53) SUCNR1ALDH1A1OXGR1BDKRB1
SCHEMBL30487489 0.75 TDP1 (0.48) SUCNR1ALDH1A1OXGR1BDKRB1
SCHEMBL21314499 0.75 TDP1 (0.48) SUCNR1ALDH1A1OXGR1BDKRB1
SCHEMBL22223345 0.75 SUCNR1 (0.46) SUCNR1ALDH1A1DAGLAOXGR1
SCHEMBL22223268 0.75 ALDH1A1 (0.49) SUCNR1ALDH1A1OXGR1
SCHEMBL20153683 0.75 ALDH1A1 (0.50) MAPTALDH1A1

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-1040098-B1 INTEGRIN RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2005-04-27 EP disclosed
US-6784190-B2 USEFUL FOR INHIBITING BONE RESORPTION, TREATING AND PREVENTING OSTEOPOROSIS, VASCULAR RESTENOSIS, DIABETIC RETINOPATHY, MACULAR DEGENERATION, ANGIOGENESIS, TUMOR, ATHEROSCLEROSIS, INFLAMMATION, WOUND HEALING, VIRAL DISEASEDISEASE, TUMOR MERCK & CO., INC. 2004-08-31 US disclosed
US-20020010176-A1 Integrin receptor antagonists MERCK SHARP & DOHME CORP. 2002-01-24 US disclosed
US-6297249-B1 SUBSTITUTED 2-CARBOXYALKYLPYRIDINES MERCK & CO., INC. 2001-10-02 US disclosed
US-6048861-A OSTEOPOROSIS; BONE DISORDERS; CARDIOVASCULAR DISORDERS; ANTIINFLAMMATROY AGENTS; WOUND HEALING AGENTS MERCK & CO., INC. (US) 2000-04-11 US 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-20020010176-A1 Integrin receptor antagonists ITGAV, ITGB3, ADGRE5 MAPT 4224/4885SUCNR1 579/4885ALDH1A1 2646/4885

“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.