SCHEMBL2806502

SCHEMBL2806502

COC(=O)c1cc(NC(=O)Oc2ccc(C)cc2)cc(C(=O)OC)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.59
PTPN11 Q06124 1/20 0.52
TDP1 Q9NUW8 1/20 0.51
ALDH1A1 P00352 7/20 0.51
GAA P10253 3/20 0.51
MAPT P10636 4/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
POLB P06746 1/20 0.49
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CYP1A2 P05177 1/20 0.48
HSD17B10 Q99714 1/20 0.48
GLA P06280 1/20 0.47
HPGD P15428 1/20 0.47
ATM Q13315 1/20 0.47
FAAH O00519 1/20 0.47
CYP3A4 P08684 1/20 0.47
MAPK1 P28482 1/20 0.47
LMNA P02545 2/20 0.47

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
SCHEMBL2813002 0.97 KDM4E (0.55) KDM4EPTPN11TDP1ALDH1A1GAA
SCHEMBL2812871 0.87 MAPT (0.55) KDM4EPTPN11ALDH1A1GAAMAPT
SCHEMBL2813391 0.86 CYP1A2 (0.64) KDM4EPTPN11TDP1ALDH1A1GAA
SCHEMBL2811844 0.83 MEN1 (0.63) KDM4ETDP1ALDH1A1GAAMAPT
SCHEMBL2811947 0.83 CYP1A2 (0.64) KDM4ETDP1ALDH1A1GAAMAPT
SCHEMBL13132588 0.83 KDM4E (0.50) KDM4EPTPN11ALDH1A1GAAMAPT
SCHEMBL13132755 0.80 KDM4E (0.47) KDM4EPTPN11ALDH1A1GAAMAPT
SCHEMBL10192033 0.80 ALDH1A1 (0.61) KDM4ETDP1ALDH1A1GAAMAPT
SCHEMBL7232750 0.80 KDM4E (0.74) KDM4EPTPN11TDP1ALDH1A1GAA
SCHEMBL12407138 0.78 SMN1; SMN2 (0.73) ALDH1A1GAAMAPTMEN1KMT2A

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 3178/4885PTPN11 4492/4885TDP1 4533/4885

“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.