SCHEMBL17854580

SCHEMBL17854580

CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)-c3ccccc3C4(c3ccccc3)c3ccccc3)c3cccc4c3C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc21

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
OPRK1 P41145 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PDK2 Q15119 2/20 0.33
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32

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
SCHEMBL17854577 0.98 KDM4E (0.36) KDM4EMEN1LMNAMAPTOPRK1
SCHEMBL20345908 0.95 KDM4E (0.36) KDM4EMEN1LMNAMAPTOPRK1
SCHEMBL15213918 0.95 KDM4E (0.35) KDM4EMEN1LMNAMAPTOPRK1
SCHEMBL23450096 0.94 PDK2 (0.35) KDM4EMEN1LMNAMAPTOPRK1
SCHEMBL20345916 0.93 KDM4E (0.36) KDM4EMEN1LMNAMAPTOPRK1
SCHEMBL21881053 0.93 PDK2 (0.35) KDM4EMEN1LMNAMAPTOPRK1
SCHEMBL17854589 0.93 MEN1 (0.40) KDM4EMEN1LMNAMAPTOPRK1
SCHEMBL23072362 0.92 KDM4E (0.33) KDM4EMEN1LMNAMAPTOPRK1
SCHEMBL17804755 0.92 MEN1 (0.37) KDM4EMEN1LMNAMAPTOPRK1
SCHEMBL25563689 0.92 PDK2 (0.36) KDM4EMAPTPDK2

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-20160176801-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICES, ORGANIC ELECTROLUMINESCENCE DEVICE, AND ELECTRONIC EQUIPMENT IDEMITSU KOSAN CO., LTD. (JP) 2016-06-23 US disclosed
US-20160176801-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICES, ORGANIC ELECTROLUMINESCENCE DEVICE, AND ELECTRONIC EQUIPMENT IDEMITSU KOSAN CO., LTD. (JP) 2016-06-23 US 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-20160176801-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICES, ORGANIC ELECTROLUMINESCENCE DEVICE, AND ELECTRONIC EQUIPMENT OR10J3, KCNA5, KCNK10 KDM4E 783/4885MEN1 796/4885LMNA 638/4885

“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.