SCHEMBL12038339

SCHEMBL12038339

CC(=O)OCOc1c(Cl)cc2c(C)c(C(=O)ON3C(=O)CCC3=O)c(=O)oc2c1Cl

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 9/20 0.36
▸ ALDH1A1 P00352 8/20 0.36
▸ GLA P06280 8/20 0.36
▸ GAA P10253 8/20 0.36
▸ HPGD P15428 8/20 0.36
▸ HIF1A Q16665 4/20 0.36
▸ MAPT P10636 2/20 0.35
▸ GFER P55789 1/20 0.34
▸ CASP1 P29466 3/20 0.32
▸ CASP7 P55210 3/20 0.32
▸ HSD17B10 Q99714 3/20 0.32
▸ ESR1 P03372 1/20 0.32
▸ ESR2 Q92731 1/20 0.32
▸ ERAP1 Q9NZ08 2/20 0.31
▸ HTT P42858 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ DUSP3 P51452 1/20 0.30
▸ PTPN5 P54829 1/20 0.30

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
SCHEMBL12038337 0.88 KDM4E (0.36) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL12038297 0.82 MAOB (0.39) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL12038362 0.80 MAOB (0.34) MAPTMEN1KMT2A
SCHEMBL12038296 0.75 MAOB (0.37) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL12038354 0.71 MAPT (0.33) MAPT
SCHEMBL12038344 0.69 ALDH1A1 (0.42) KDM4EALDH1A1HPGDMAPTHSD17B10
SCHEMBL12038332 0.69 MAOB (0.34) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL12038356 0.68 LMNA (0.33) KDM4EALDH1A1GLAGAAMAPT
SCHEMBL12038303 0.68 MAOB (0.40) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL12038474 0.67 GPR35 (0.50) KDM4EALDH1A1HPGDCASP1CASP7

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-8318953-B2 Reactive coumarin derivatives and their use in cellular analyses AAT BIOQUEST, INC. (US) 2012-11-27 — — US disclosed
US-8318953-B2 Reactive coumarin derivatives and their use in cellular analyses AAT BIOQUEST, INC. (US) 2012-11-27 — — US disclosed
US-20110318772-A1 REACTIVE COUMARIN DERIVATIVES AND THEIR USE IN CELLULAR ANALYSES AAT BIOQUEST, INC. (US) 2011-12-29 — — US disclosed
US-20110318772-A1 REACTIVE COUMARIN DERIVATIVES AND THEIR USE IN CELLULAR ANALYSES AAT BIOQUEST, INC. (US) 2011-12-29 — — 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-20110318772-A1 REACTIVE COUMARIN DERIVATIVES AND THEIR USE IN CELLULAR ANALYSES CYP3A7, XPO7, HCCS KDM4E 4529/4885ALDH1A1 459/4885GLA 649/4885

“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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