SCHEMBL2809005

SCHEMBL2809005

Nc1cc(C(=O)OC(=O)c2ccc(O)cc2)ccc1C(=O)OC(=O)c1ccc(O)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.57
ALDH1A1 P00352 2/20 0.57
MAPT P10636 2/20 0.57
HPGD P15428 2/20 0.57
GLA P06280 1/20 0.57
GAA P10253 1/20 0.57
CASP1 P29466 1/20 0.57
CASP7 P55210 1/20 0.57
ATM Q13315 1/20 0.57
HSD17B10 Q99714 1/20 0.57
CA12 O43570 3/20 0.44
CA1 P00915 3/20 0.44
CA2 P00918 3/20 0.44
CA7 P43166 3/20 0.44
CA9 Q16790 3/20 0.44
CA14 Q9ULX7 3/20 0.44
ESR1 P03372 6/20 0.41
ESR2 Q92731 4/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL6355275 0.83 ALDH1A1 (0.53) KDM4EALDH1A1MAPTHPGDGLA
SCHEMBL3357496 0.81 MAPT (0.50) KDM4EALDH1A1MAPTHPGDGLA
SCHEMBL29067027 0.80 ALDH1A1 (0.54) KDM4EALDH1A1MAPTHPGDGLA
SCHEMBL8716262 0.80 MAPT (0.54) KDM4EALDH1A1MAPTHPGDGLA
SCHEMBL5669277 0.79 CA1 (0.65) KDM4EALDH1A1MAPTHPGDCA12
SCHEMBL29358 0.73 KDM4E (1.00) KDM4EALDH1A1MAPTHPGDGLA
SCHEMBL27499877 0.73 KMT2A (0.53) ALDH1A1MAPTHPGDCA12CA1
SCHEMBL5069247 0.71 CYP3A4 (0.46) KDM4EALDH1A1MAPTHPGDGLA
Hydrochloric Acid SCHEMBL2278703 0.71 KDM4E (0.96) KDM4EALDH1A1MAPTHPGDGLA
SCHEMBL1660150 0.71 CES2 (0.64) MAPTHPGDCA12CA1CA2

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-20100240908-A1 ACETYLENE COMPOUND FUJIFILM CORPORATION (JP) 2010-09-23 US 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 KDM4E 3178/4885ALDH1A1 401/4885MAPT 4057/4885

“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.