SCHEMBL5296032

SCHEMBL5296032

Cc1ncc(CCCCCCCCC(=O)O)cn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.55
RXFP1 Q9HBX9 1/20 0.55
TBXAS1 P24557 11/20 0.53
F13A1 P00488 3/20 0.46
FAAH O00519 1/20 0.44
RARB P10826 1/20 0.44
HDAC3 O15379 1/20 0.44
MAPK1 P28482 1/20 0.44
ADRA1A P35348 1/20 0.44
HDAC4 P56524 1/20 0.44
SLC6A3 Q01959 1/20 0.44
HDAC1 Q13547 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44

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
SCHEMBL27924944 0.93 SMN1; SMN2 (0.52) MAPTRXFP1TBXAS1HDAC3MAPK1
SCHEMBL7468895 0.85 P4HTM (0.55) TBXAS1
SCHEMBL31639573 0.82 MAPT (0.55) MAPTRXFP1TBXAS1F13A1FAAH
SCHEMBL5298324 0.80 CYP4F2 (0.49) TBXAS1RARBMAPK1
SCHEMBL2434548 0.78 KDM4E (0.38) MAPTFAAHRARBHDAC3MAPK1
SCHEMBL27412442 0.78 TBXAS1 (0.65) MAPTRXFP1TBXAS1F13A1HDAC3
SCHEMBL7552548 0.76 TBXAS1 (0.64) MAPTRXFP1TBXAS1F13A1HDAC3
SCHEMBL12186163 0.75 RARB (0.50) MAPTTBXAS1RARBSLC6A3SMN1; SMN2
SCHEMBL3814880 0.74 MAPT (0.83) MAPTRXFP1TBXAS1F13A1HDAC3
SCHEMBL9671779 0.74 MAPT (0.83) MAPTRXFP1TBXAS1F13A1HDAC3

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
EP-1315501-B1 ALPHA V INTEGRIN RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2007-02-07 EP disclosed
US-7056909-B2 Alpha v integrin receptor antagonists MERCK & CO., INC. (US) 2006-06-06 US disclosed
EP-1315501-A4 ALPHA V INTEGRIN RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2005-03-23 EP disclosed
US-20040038963-A1 Alpha v integrin receptor antagonists MERCK SHARP & DOHME CORP. 2004-02-26 US disclosed
EP-1315501-A1 ALPHA V INTEGRIN RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2003-06-04 EP disclosed
WO-2002007730-A1 ALPHA V INTEGRIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2002-01-31 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-20040038963-A1 Alpha v integrin receptor antagonists ITGAV, ADGRE5, ITGB3 MAPT 4094/4885RXFP1 405/4885TBXAS1 932/4885

“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.