SCHEMBL2813007

SCHEMBL2813007

COC(=O)c1cc(NC(=O)Oc2ccccc2C)cc(NC(=O)Oc2ccccc2C)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.52
HPGD P15428 2/20 0.52
POLB P06746 2/20 0.52
NPSR1 Q6W5P4 1/20 0.52
KMT2A Q03164 6/20 0.50
MEN1 O00255 4/20 0.50
L3MBTL1 Q9Y468 2/20 0.47
ALDH1A1 P00352 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
ATM Q13315 1/20 0.46
RAB9A P51151 3/20 0.45
MAPT P10636 2/20 0.45
NPC1 O15118 1/20 0.45
GAA P10253 1/20 0.44
HTT P42858 1/20 0.44
LMNA P02545 1/20 0.44
PTPN11 Q06124 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43

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
SCHEMBL2806505 0.97 KDM4E (0.56) KDM4EHPGDPOLBNPSR1KMT2A
SCHEMBL2811847 0.87 MEN1 (0.65) POLBKMT2AMEN1L3MBTL1TDP1
SCHEMBL2811947 0.81 CYP1A2 (0.64) KDM4EHPGDPOLBKMT2AMEN1
SCHEMBL8048675 0.80 NOTUM (0.59) KDM4EHPGDPOLBKMT2AALDH1A1
SCHEMBL2813391 0.78 CYP1A2 (0.64) KDM4EHPGDPOLBNPSR1KMT2A
SCHEMBL12288926 0.77 MAPK1 (0.65) KDM4EPOLBKMT2AMEN1ALDH1A1
SCHEMBL2813002 0.77 KDM4E (0.55) KDM4EHPGDPOLBKMT2AMEN1
SCHEMBL10672384 0.76 MAPK1 (0.66) HPGDNPSR1ALDH1A1RAB9AMAPT
SCHEMBL1835529 0.75 ALDH1A1 (0.49) NPSR1KMT2AMEN1ALDH1A1ATM
SCHEMBL2806502 0.74 KDM4E (0.59) KDM4EHPGDPOLBKMT2AMEN1

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 3178/4885HPGD 1111/4885POLB 1474/4885

“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.