SCHEMBL20182010

SCHEMBL20182010

CC(C)OP(=O)(OC(C)C)c1cccc2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.55
ALDH1A1 P00352 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
LMNA P02545 2/20 0.40
POLB P06746 1/20 0.40
HPGD P15428 1/20 0.38
CYP1A2 P05177 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
CA12 O43570 2/20 0.37
CA2 P00918 2/20 0.37
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
MMP8 P22894 1/20 0.37
MMP14 P50281 1/20 0.37
CA14 Q9ULX7 1/20 0.37

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
SCHEMBL10721636 0.79 KDM4E (0.42) KDM4EALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL12212081 0.76 ALDH1A1 (0.47) KDM4EALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL20152570 0.76 KDM4E (0.44) KDM4EALDH1A1L3MBTL1LMNAPOLB
SCHEMBL31482558 0.75 KDM4E (0.57) KDM4EALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL10786887 0.75 KDM4E (0.57) KDM4EALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL31506337 0.74 CA12 (0.49) KDM4EALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL28654700 0.74 ALDH1A1 (0.46) KDM4EALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL20160700 0.73 KDM4E (0.41) KDM4EALDH1A1L3MBTL1LMNAPOLB
SCHEMBL19743195 0.72 KDM4E (0.46) KDM4EALDH1A1L3MBTL1LMNAPOLB
SCHEMBL1244976 0.72 KDM4E (0.53) KDM4EALDH1A1L3MBTL1LMNAPOLB

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-20190352318-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2019-11-21 US disclosed
WO-2018091435-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2018-05-24 WO 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-20190352318-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES L1CAM, EFNA1, EPCAM KDM4E 3088/4885ALDH1A1 33/4885L3MBTL1 2243/4885

“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.