SCHEMBL6830596

SCHEMBL6830596

Cc1ccccc1NCC#CCC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.50
HTT P42858 2/20 0.50
ITGB3 P05106 2/20 0.49
ITGAV P06756 2/20 0.49
ITGB1 P05556 1/20 0.49
ITGA5 P08648 1/20 0.49
RAB9A P51151 4/20 0.47
NPC1 O15118 3/20 0.47
HPGD P15428 6/20 0.46
POLB P06746 1/20 0.46
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
LMNA P02545 1/20 0.44
MAPK1 P28482 1/20 0.44
ALOX12 P18054 1/20 0.44
PTGS2 P35354 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL6827368 0.83 MAPT (0.47) MAPTHTTITGB3ITGAVITGB1
Hydrochloric Acid SCHEMBL2238159 0.78 ITGB3 (0.64) MAPTHTTITGB3ITGAVITGB1
SCHEMBL196636 0.78 ITGB3 (0.64) MAPTHTTITGB3ITGAVITGB1
SCHEMBL4433189 0.76 ITGB3 (0.53) MAPTHTTITGB3ITGAVITGB1
SCHEMBL3205146 0.75 ITGB3 (0.66) MAPTHTTITGB3ITGAVITGB1
SCHEMBL31139405 0.75 ITGB3 (0.66) MAPTHTTITGB3ITGAVITGB1
SCHEMBL29712673 0.75 MAPT (0.53) MAPTHTTHPGDPOLBALDH1A1
Hydrochloric Acid SCHEMBL10912163 0.74 ITGB3 (0.64) MAPTHTTITGB3ITGAVITGB1
SCHEMBL8707595 0.74 MAPT (0.61) MAPTHTTITGB3ITGAVITGB1
SCHEMBL13948424 0.72 MAPT (0.60) MAPTHTTITGB3ITGAVITGB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6743940-B2 MICROBIOCIDES CIBA SPECIALTY CHEMICALS CORPORATION 2004-06-01 US disclosed
US-20020115881-A1 4-aminobut-2-ynecarboxylic acid derivatives CIBA SPECIALTY CHEMICALS CORP. 2002-08-22 US disclosed
EP-1215198-A1 4-Aminobut-2-yne carboxylic acid derivatives and their use as antimicrobial agents Ciba SC Holding AG (CH) 2002-06-19 EP 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-20020115881-A1 4-aminobut-2-ynecarboxylic acid derivatives DDC, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, NDC1 MAPT 4624/4885HTT 4620/4885ITGB3 3196/4885

“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.