SCHEMBL4406987

SCHEMBL4406987

Cc1cc(C)cc(-c2ccc(-c3ccccn3)nc2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.48
CCR1 P32246 4/20 0.48
CCR5 P51681 4/20 0.48
CCR8 P51685 4/20 0.48
LMNA P02545 3/20 0.48
P4HTM Q9NXG6 2/20 0.48
METAP1 P53582 2/20 0.48
CYP1A2 P05177 1/20 0.48
POLB P06746 1/20 0.48
BLM P54132 1/20 0.48
HIF1A Q16665 1/20 0.48
DOHH Q9BU89 1/20 0.48
HPGDS O60760 1/20 0.48
TP53 P04637 3/20 0.47
NPC1 O15118 3/20 0.47
PKM P14618 3/20 0.47
ALOX15 P16050 2/20 0.47
HTT P42858 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
L3MBTL1 Q9Y468 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
SCHEMBL28314015 0.90 CYP2A6 (0.49) KDM4ECCR1CCR5CCR8LMNA
SCHEMBL4402814 0.88 PKM (0.48) KDM4ECCR1CCR5CCR8LMNA
SCHEMBL4407002 0.87 GRM5 (0.51) KDM4ECCR1CCR5CCR8LMNA
SCHEMBL12925537 0.87 KDM4E (0.58) KDM4ECCR1CCR5CCR8LMNA
SCHEMBL4400287 0.87 CCR1 (0.52) CCR1CCR5CCR8GRM5METAP2
SCHEMBL12339162 0.86 KDM4E (0.52) KDM4ECCR1CCR5CCR8LMNA
SCHEMBL12925679 0.85 KDM4E (0.56) KDM4ECCR1CCR5CCR8LMNA
SCHEMBL18806862 0.85 KDM4E (0.67) KDM4ECCR1CCR5CCR8LMNA
SCHEMBL21636881 0.85 KDM4E (0.67) KDM4ECCR1CCR5CCR8LMNA
SCHEMBL23873748 0.84 CYP1A2 (0.49) KDM4ECCR1CCR5CCR8LMNA

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-8168307-B2 Organic compound, charge transport material and organic electroluminescent device PIONEER CORPORATION (JP) 2012-05-01 US disclosed
US-20090021146-A1 ORGANIC COMPOUND, CHARGE TRANSPORT MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE PIONEER CORPORATION (JP) 2009-01-22 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-20090021146-A1 ORGANIC COMPOUND, CHARGE TRANSPORT MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE SLC25A21, SLCO2A1, OCIAD2 KDM4E 2880/4885CCR1 569/4885CCR5 2793/4885

“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.