SCHEMBL2810719

SCHEMBL2810719

COC(=O)c1cc(C)c(NC(=O)Oc2ccccc2)cc1C(=O)OC

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.65
KDM4E B2RXH2 6/20 0.65
HPGD P15428 2/20 0.65
GAA P10253 2/20 0.65
GLA P06280 1/20 0.65
ATM Q13315 1/20 0.65
CYP1A2 P05177 2/20 0.56
KMT2A Q03164 2/20 0.53
MAPT P10636 4/20 0.50
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
RAB9A P51151 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CNR2 P34972 1/20 0.45
TRPV1 Q8NER1 1/20 0.45
POLB P06746 1/20 0.45
MAOB P27338 1/20 0.45
FAAH O00519 1/20 0.45
CYP3A4 P08684 1/20 0.45

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
SCHEMBL2810638 0.88 ALDH1A1 (0.54) ALDH1A1KDM4EHPGDGAAGLA
SCHEMBL3783571 0.82 KDM4E (0.78) ALDH1A1KDM4EHPGDGAAGLA
SCHEMBL3789176 0.79 ALDH1A1 (0.76) ALDH1A1KDM4EHPGDGAAGLA
SCHEMBL3782285 0.79 ALDH1A1 (0.76) ALDH1A1KDM4EHPGDGAAGLA
SCHEMBL15821915 0.78 RAB9A (0.59) ALDH1A1KDM4EHPGDGAAGLA
SCHEMBL29739419 0.78 KMT2A (0.54) ALDH1A1KDM4EHPGDGAAGLA
SCHEMBL14417203 0.78 ALDH1A1 (0.56) ALDH1A1KDM4EHPGDGAAGLA
SCHEMBL2815290 0.78 ALDH1A1 (0.59) ALDH1A1KDM4EHPGDGAAGLA
SCHEMBL2814224 0.78 ALDH1A1 (0.59) ALDH1A1KDM4EHPGDGAAGLA
SCHEMBL3784326 0.78 KDM4E (0.62) ALDH1A1KDM4EHPGDGAAGLA

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 ALDH1A1 401/4885KDM4E 3178/4885HPGD 1111/4885

“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.