SCHEMBL29308142

SCHEMBL29308142

CC(C)(c1ccc(Oc2ccc(C(=O)c3ccc(Oc4ccc(N5C(=O)c6ccc(C#Cc7ccccc7)cc6C5=O)cc4)cc3)cc2)cc1)c1ccc(Oc2ccc(C(=O)c3ccc(Oc4ccc(N5C(=O)c6ccc(C#Cc7ccccc7)cc6C5=O)cc4)cc3)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 3/20 0.48
CA12 O43570 2/20 0.48
CA1 P00915 2/20 0.48
POLB P06746 2/20 0.46
PTGES O14684 1/20 0.45
ENPP2 Q13822 1/20 0.45
PKM P14618 1/20 0.43
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
HTT P42858 1/20 0.42
BRD4 O60885 1/20 0.42
MAPK1 P28482 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HSD17B10 Q99714 1/20 0.41
LPAR1 Q92633 1/20 0.41
LPAR5 Q9H1C0 1/20 0.41
LPAR3 Q9UBY5 1/20 0.41
GFER P55789 1/20 0.40

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
SCHEMBL22566814 0.93 KMT2A (0.46) CA9CA12CA1POLBPTGES
SCHEMBL10000527 0.92 MEN1 (0.46) CA9CA12CA1POLBPTGES
SCHEMBL84252 0.89 MEN1 (0.42) CA9CA12CA1POLBPTGES
SCHEMBL29308184 0.89 ALDH1A1 (0.52) CA9CA12CA1POLBPTGES
SCHEMBL29308141 0.88 BRD4 (0.56) CA9CA12CA1POLBPTGES
SCHEMBL84265 0.87 KMT2A (0.41) CA9CA12CA1POLBPTGES
SCHEMBL22627210 0.86 PTGES (0.49) CA9CA12CA1POLBPTGES
SCHEMBL10000520 0.85 MEN1 (0.52) CA9CA12CA1POLBPTGES
SCHEMBL14114060 0.84 MEN1 (0.48) CA9CA1POLBPKMMEN1
SCHEMBL14259658 0.83 MEN1 (0.50) CA9CA12CA1POLBPTGES

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12037319-B2 Curable compound DAICEL CORPORATION (JP) 2024-07-16 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-12037319-B2 Curable compound CCT5, PGA5, KDM5B CA9 552/4885CA12 1562/4885CA1 2678/4885

“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.