SCHEMBL12035646

SCHEMBL12035646

COC(=O)c1cc(C)cc(OBO)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 2/20 0.46
▸ ATM Q13315 1/20 0.46
▸ CA1 P00915 3/20 0.44
▸ CA2 P00918 3/20 0.44
▸ TDP1 Q9NUW8 2/20 0.44
▸ CA12 O43570 2/20 0.44
▸ CA7 P43166 2/20 0.44
▸ CA9 Q16790 2/20 0.44
▸ CA14 Q9ULX7 2/20 0.44
▸ SLC7A5 Q01650 1/20 0.43
▸ KDM4E B2RXH2 3/20 0.43
▸ POLB P06746 2/20 0.43
▸ XDH P47989 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ NFKB1 P19838 1/20 0.43
▸ GFER P55789 1/20 0.43
▸ NFKB2 Q00653 1/20 0.43
▸ RELA Q04206 1/20 0.43
▸ FUT7 Q11130 1/20 0.43

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
SCHEMBL2781665 0.88 CNR2 (0.47) CNR2ATMCA1CA2TDP1
SCHEMBL988746 0.82 CA1 (0.53) CNR2ATMCA1CA2TDP1
Methyl 3,5-Dimethylbenzoate SCHEMBL334346 0.79 CNR2 (0.66) CNR2ATMCA1CA2TDP1
SCHEMBL70232 0.79 ATM (0.61) CNR2ATMCA1CA2TDP1
SCHEMBL14107665 0.77 MEN1 (0.49) CNR2ATMCA1CA2TDP1
SCHEMBL12930400 0.77 ALDH1A1 (0.41) CA2TDP1POLBALDH1A1MEN1
SCHEMBL18210850 0.77 CNR2 (0.54) CNR2ATMCA1CA2TDP1
SCHEMBL16957372 0.76 KAT6A (0.49) CNR2ATMCA1CA2TDP1
SCHEMBL26151409 0.76 CNR2 (0.46) CNR2ATMCA1CA2TDP1
SCHEMBL2720990 0.76 CNR2 (0.46) CNR2ATMCA1CA2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9024093-B2 Fluorination of organic compounds PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2015-05-05 — — US disclosed
US-20110312903-A1 FLUORINATION OF ORGANIC COMPOUNDS PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2011-12-22 — — 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-20110312903-A1 FLUORINATION OF ORGANIC COMPOUNDS SLCO1B3, SLCO2B1, FLI1 CNR2 2832/4885ATM 3496/4885CA1 779/4885

“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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