SCHEMBL29308141

SCHEMBL29308141

O=C(c1ccc(Oc2ccc(N3C(=O)c4ccc(C#Cc5ccccc5)cc4C3=O)cc2)cc1)c1ccc(Oc2cccc(Oc3ccc(C(=O)c4ccc(Oc5ccc(N6C(=O)c7ccc(C#Cc8ccccc8)cc7C6=O)cc5)cc4)cc3)c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.56
PTGES O14684 1/20 0.50
LPAR1 Q92633 1/20 0.50
LPAR5 Q9H1C0 1/20 0.50
LPAR3 Q9UBY5 1/20 0.50
ENPP2 Q13822 1/20 0.50
POLB P06746 2/20 0.49
MEN1 O00255 6/20 0.48
KMT2A Q03164 6/20 0.48
MAPK1 P28482 1/20 0.48
HSD17B10 Q99714 1/20 0.46
HTT P42858 1/20 0.45
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
SCN2A Q99250 1/20 0.43
GFER P55789 1/20 0.43
SRD5A2 P31213 1/20 0.42
ALDH1A1 P00352 2/20 0.41

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
SCHEMBL29308184 0.91 ALDH1A1 (0.52) PTGESENPP2POLBMEN1KMT2A
SCHEMBL6400602 0.89 BRD4 (0.56) BRD4PTGESLPAR1LPAR5LPAR3
SCHEMBL84247 0.88 MEN1 (0.58) BRD4PTGESLPAR1LPAR5LPAR3
SCHEMBL29308142 0.88 CA9 (0.48) BRD4PTGESLPAR1LPAR5LPAR3
SCHEMBL19689371 0.88 BRD4 (0.58) BRD4PTGESLPAR1LPAR5LPAR3
SCHEMBL15695540 0.88 BRD4 (0.56) BRD4PTGESPOLBMEN1KMT2A
SCHEMBL10000448 0.87 BRD4 (0.55) BRD4PTGESPOLBMEN1KMT2A
SCHEMBL10000443 0.86 MEN1 (0.56) BRD4PTGESLPAR1LPAR5LPAR3
SCHEMBL29308186 0.84 PTGES (0.42) BRD4PTGESLPAR1LPAR5LPAR3
SCHEMBL10000527 0.83 MEN1 (0.46) BRD4PTGESLPAR1LPAR5LPAR3

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 BRD4 1275/4885PTGES 183/4885LPAR1 4122/4885

“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.