SCHEMBL4420293

SCHEMBL4420293

CCCN(CCC)C(=O)NNC(=O)N(CC)CC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.44
CA9 Q16790 5/20 0.44
CA2 P00918 4/20 0.44
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
ALDH1A1 P00352 2/20 0.39
ALDH2 P05091 1/20 0.39
CA1 P00915 4/20 0.39
HPGD P15428 1/20 0.39
TP53 P04637 2/20 0.38
LMNA P02545 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34
MMP8 P22894 1/20 0.34
HTR1A P08908 1/20 0.33
ABCC1 P33527 1/20 0.33
POLB P06746 2/20 0.33
NPC1 O15118 1/20 0.33

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
SCHEMBL3267958 0.78 LMNA (0.37) CA12CA9CA2ALDH1A1ALDH2
SCHEMBL971151 0.76 CA12 (0.44) CA12CA9CA2TSHRMAPK1
SCHEMBL43323 0.75 CA12 (0.48) CA12CA9CA2TSHRMAPK1
SCHEMBL18641843 0.74 CA12 (0.43) CA12CA9CA2TSHRMAPK1
SCHEMBL968823 0.74 CA12 (0.43) CA12CA9CA2TSHRMAPK1
SCHEMBL6279782 0.73 CA12 (0.46) CA12CA9CA2TSHRMAPK1
SCHEMBL8748175 0.73 CA2 (0.46) CA12CA9CA2TSHRMAPK1
SCHEMBL13778398 0.73 CA12 (0.46) CA12CA9CA2TSHRMAPK1
SCHEMBL4682569 0.73 CA12 (0.41) CA12CA9CA2TSHRMAPK1
SCHEMBL4682574 0.73 CA9 (0.41) CA12CA9CA2TSHRMAPK1

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-7507761-B2 Benzopyran derivatives, method of production and use thereof UNIVERSITE DE LIEGE (BE) 2009-03-24 US disclosed
US-20070112063-A1 Benzopyran derivatives, method of production and use thereof UNIVERSITE DE LIEGE (BE) 2007-05-17 US disclosed
EP-1589015-A1 Benzopyran derivatives, method of production and use thereof Université de Liège (BE) 2005-10-26 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-20070112063-A1 Benzopyran derivatives, method of production and use thereof CBR3, CBR1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 CA12 2070/4885CA9 1088/4885CA2 730/4885

“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.