SCHEMBL6790619

SCHEMBL6790619

Nc1nccc(CCCCC(=O)O)n1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 9/20 0.43
MAPT P10636 2/20 0.42
RXFP1 Q9HBX9 1/20 0.42
LTB4R Q15722 1/20 0.39
ALDH1A1 P00352 1/20 0.39
F13A1 P00488 3/20 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
SCHEMBL3740210 0.95 ALDH1A1 (0.43) TBXAS1MAPTALDH1A1
SCHEMBL6107293 0.79 F13A1 (0.43) TBXAS1MAPTRXFP1LTB4RALDH1A1
SCHEMBL4767135 0.78 GABRA5 (0.49) MAPT
SCHEMBL3248683 0.76 KCNH2 (0.53) MAPTALDH1A1
SCHEMBL26547322 0.75 MAPT (0.47) TBXAS1MAPTRXFP1
SCHEMBL14043611 0.75 KCNH2 (0.56) MAPTALDH1A1
SCHEMBL5748502 0.75 KCNH2 (0.56) MAPTALDH1A1
SCHEMBL5748930 0.75 KCNH2 (0.56) MAPTALDH1A1
SCHEMBL5749599 0.75 KCNH2 (0.56) MAPTALDH1A1
Ammonia Solution, Strong SCHEMBL5846083 0.74 HRH3 (0.50)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
CN-1284944-A Integrin receptor antagonists MERCK & CO INC (US) 2001-02-21 CN disclosed
EP-1040098-A1 INTEGRIN RECEPTOR ANTAGONISTS Merck & Co., Inc. (a New Jersey corp.) (US) 2000-10-04 EP disclosed
US-6048861-A OSTEOPOROSIS; BONE DISORDERS; CARDIOVASCULAR DISORDERS; ANTIINFLAMMATROY AGENTS; WOUND HEALING AGENTS MERCK & CO., INC. (US) 2000-04-11 US disclosed
WO-1999031061-A1 INTEGRIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1999-06-24 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-20020010176-A1 Integrin receptor antagonists ITGAV, ITGB3, ADGRE5 TBXAS1 1034/4885MAPT 4224/4885RXFP1 533/4885

“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.