SCHEMBL2811429

SCHEMBL2811429

COC(=O)c1cc(N)cc(C(=O)OC)c1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.53
KDM4E B2RXH2 8/20 0.50
ALDH1A1 P00352 6/20 0.48
HSD17B10 Q99714 3/20 0.48
HPGD P15428 3/20 0.48
MAPT P10636 3/20 0.48
GLA P06280 2/20 0.48
CASP1 P29466 1/20 0.48
CASP7 P55210 1/20 0.48
ATM Q13315 1/20 0.48
CFTR P13569 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
ABL1 P00519 1/20 0.47
TSHR P16473 2/20 0.46
ALOX15 P16050 1/20 0.46
POLB P06746 1/20 0.46
NQO2 P16083 2/20 0.44
CA12 O43570 2/20 0.42

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
SCHEMBL1271994 0.92 KDM4E (0.61) GAAKDM4EALDH1A1HSD17B10HPGD
SCHEMBL5629366 0.90 KDM4E (0.63) GAAKDM4EALDH1A1HSD17B10HPGD
SCHEMBL524175 0.90 GAA (0.49) GAAKDM4EALDH1A1HSD17B10HPGD
SCHEMBL27091847 0.87 KDM4E (0.56) GAAKDM4EALDH1A1HSD17B10HPGD
SCHEMBL20503830 0.87 GAA (0.46) GAAKDM4EALDH1A1HSD17B10HPGD
SCHEMBL9618217 0.87 GAA (0.46) GAAKDM4EALDH1A1HSD17B10HPGD
SCHEMBL2810277 0.83 KDM4E (0.50) GAAKDM4EALDH1A1HSD17B10HPGD
SCHEMBL11513901 0.83 GAA (0.58) GAAKDM4EALDH1A1HSD17B10HPGD
SCHEMBL1335411 0.82 PDGFRB (0.49) GAAKDM4EALDH1A1HSD17B10HPGD
SCHEMBL26596782 0.82 CYP46A1 (0.47) GAAKDM4EALDH1A1HSD17B10HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100240908-A1 ACETYLENE COMPOUND FUJIFILM CORPORATION (JP) 2010-09-23 US disclosed
CN-101808982-A Acetylene compound FUJIFILM CORP 2010-08-18 CN disclosed
EP-2202221-A1 ACETYLENE COMPOUND Fujifilm Corporation (JP) 2010-06-30 EP 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-20100240908-A1 ACETYLENE COMPOUND NAT1, KATNA1, KAT2B GAA 4079/4885KDM4E 3178/4885ALDH1A1 401/4885

“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.