SCHEMBL13337474

SCHEMBL13337474

CC#CCOC(=O)c1ccc(OCC#CC)cc1F

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.44
MAOA P21397 1/20 0.42
MMP1 P03956 5/20 0.42
MMP9 P14780 5/20 0.42
MMP2 P08253 2/20 0.42
MMP12 P39900 1/20 0.42
ADAM17 P78536 6/20 0.40
MMP13 P45452 4/20 0.40
MMP14 P50281 1/20 0.40
PARP10 Q53GL7 3/20 0.39
PARP15 Q460N3 1/20 0.39
ALDH1A1 P00352 1/20 0.39
PARP14 Q460N5 1/20 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
SCHEMBL16428389 0.89 MAOB (0.44) MAOBMAOAMMP1MMP9MMP2
SCHEMBL13337475 0.87 MAOB (0.48) MAOBMAOAMMP1MMP9MMP2
SCHEMBL13459402 0.84 MAOB (0.37) MAOBMAOAMMP1MMP9MMP2
SCHEMBL2832950 0.84 RAB9A (0.50) MMP1MMP9MMP2MMP12ALDH1A1
SCHEMBL25532032 0.78 ADAM17 (0.43) MAOBMAOAMMP1MMP9MMP2
SCHEMBL2838283 0.77 NPC1 (0.54) MMP1MMP9MMP2MMP12ALDH1A1
SCHEMBL13366219 0.76 KDM4E (0.50) MAOBMAOAALDH1A1
SCHEMBL13663882 0.74 TSHR (0.57) ALDH1A1
SCHEMBL14117097 0.74 ADAM17 (0.40) MMP1MMP9MMP2ADAM17MMP13
SCHEMBL4277702 0.72 ALDH1A1 (0.53) MAOBMAOAPARP10PARP15ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8372885-B2 Organic compounds and their uses NOVARTIS AG (CH) 2013-02-12 US disclosed
US-20100120872-A1 ORGANIC COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2010-05-13 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-20100120872-A1 ORGANIC COMPOUNDS AND THEIR USES OAT, OTC, AOX1 MAOB 90/4885MAOA 132/4885MMP1 887/4885

“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.