SCHEMBL4512642

SCHEMBL4512642

COC(=O)c1cc(C)c(I)c(C)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.54
CA2 P00918 4/20 0.54
CA12 O43570 3/20 0.54
CA7 P43166 3/20 0.54
CA9 Q16790 3/20 0.54
CA14 Q9ULX7 3/20 0.54
KDM4E B2RXH2 5/20 0.52
LMNA P02545 3/20 0.52
TDP1 Q9NUW8 2/20 0.52
GAA P10253 2/20 0.52
XDH P47989 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
POLB P06746 1/20 0.52
NFKB1 P19838 1/20 0.52
GFER P55789 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
FUT7 Q11130 1/20 0.52
ALDH1A1 P00352 2/20 0.48
MAPT P10636 2/20 0.46

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
SCHEMBL2605591 0.84 CA1 (0.60) CA1CA2CA12CA7CA9
SCHEMBL10832764 0.82 CA1 (0.58) CA1CA2CA12CA7CA9
SCHEMBL21854475 0.82 KDM4E (0.57) CA1CA2CA12CA7CA9
SCHEMBL31401490 0.82 CA1 (0.48) CA1CA2CA12CA7CA9
SCHEMBL198717 0.80 KDM4E (0.65) CA1CA2CA12CA7CA9
SCHEMBL70139 0.80 CYP3A4 (0.57) CA1CA2CA12CA7CA9
SCHEMBL18582749 0.80 EGFR (0.51) KDM4ELMNAALDH1A1PPARATSHR
SCHEMBL15958202 0.79 CA12 (0.50) CA1CA2CA12CA7CA9
SCHEMBL18301336 0.79 CA12 (0.46) CA1CA2CA12CA7CA9
SCHEMBL18348293 0.79 ATM (0.51) CA1CA2CA12CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100048731-A1 Hydroxylated Long-Chain Resveratrol Derivatives Useful as Neurotrophic Agents CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE(CNRS) (FR) 2010-02-25 US disclosed
US-20090298894-A1 AMINO ACID COMPOUNDS ASAHI KASEI PHARMA CORPORATION (JP) 2009-12-03 US disclosed
US-20090298894-A1 AMINO ACID COMPOUNDS ASAHI KASEI PHARMA CORPORATION (JP) 2009-12-03 US disclosed
US-20090298894-A1 AMINO ACID COMPOUNDS ASAHI KASEI PHARMA CORPORATION (JP) 2009-12-03 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 (2 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-20100048731-A1 Hydroxylated Long-Chain Resveratrol Derivatives Useful as Neurotrophic Agents BDNF, NTRK2, NGF CA1 1189/4885CA2 1976/4885CA12 2802/4885
US-20090298894-A1 AMINO ACID COMPOUNDS S1PR1, S1PR2, S1PR5 CA1 3297/4885CA2 3482/4885CA12 4770/4885

“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.