SCHEMBL3448794

SCHEMBL3448794

O=C(c1cccc(C#Cc2ccccc2)c1)c1ccc2c(c1)C(=O)OC2=O

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 5/20 0.45
▸ CA7 P43166 5/20 0.45
▸ CA1 P00915 4/20 0.45
▸ CA4 P22748 2/20 0.45
▸ GRM5 P41594 4/20 0.44
▸ ATM Q13315 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ PTPRC P08575 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ PTPN11 Q06124 1/20 0.39
▸ CNR2 P34972 1/20 0.39
▸ VNN1 O95497 1/20 0.38
▸ PBRM1 Q86U86 1/20 0.38
▸ APEX1 P27695 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ HNF4A P41235 1/20 0.38

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
SCHEMBL3448825 0.91 CA12 (0.47) CA12CA7CA1CA4GRM5
SCHEMBL1271059 0.85 TDP1 (0.55) CA12CA7CA1CA4ATM
SCHEMBL3447489 0.84 CA12 (0.40) CA12CA7CA1CA4ATM
SCHEMBL432542 0.83 TDP1 (0.52) CA12CA7CA1CA4ATM
SCHEMBL17450481 0.83 ATM (0.61) CA12CA1ATMTDP1L3MBTL1
SCHEMBL14338517 0.81 ATM (0.65) CA12CA1ATMTDP1L3MBTL1
SCHEMBL169521 0.81 CA12 (0.51) CA12CA7CA1CA4ATM
SCHEMBL9328144 0.80 CA12 (0.50) CA12CA7CA1CA4ATM
SCHEMBL72823 0.80 GRM5 (0.66) GRM5TDP1HNF4A
SCHEMBL2484619 0.79 VCP (0.54) CA12CA7CA1CA4GRM5

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-20100059261-A1 REACTIVE MONOMER AND RESIN COMPOSITION CONTAINING SAME AMT LABORATORY CO., LTD. (JP) 2010-03-11 — — 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-20100059261-A1 REACTIVE MONOMER AND RESIN COMPOSITION CONTAINING SAME RAD51, ACTR2, ARID2 CA12 4656/4885CA7 4741/4885CA1 4569/4885

“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.

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