SCHEMBL13104649

SCHEMBL13104649

Cc1cc(C)c(N(c2ccccc2)c2cc(-c3ccc(-c4ccc(-c5cc(N(c6ccccc6)c6c(C)cc(C)cc6C)cc(N(c6ccccc6)c6c(C)cc(C)cc6C)c5)cc4)cc3)cc(N(c3ccccc3)c3c(C)cc(C)cc3C)c2)c(C)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 2/20 0.36
TNKS2 Q9H2K2 1/20 0.36
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
CRHR1 P34998 2/20 0.34
CYP1A2 P05177 2/20 0.33
CYP2A6 P11509 1/20 0.33
ALDH1A1 P00352 3/20 0.33
LMNA P02545 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
HPRT1 P00492 1/20 0.32
RCE1 Q9Y256 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
TDP1 Q9NUW8 2/20 0.31
KDM4E B2RXH2 1/20 0.31
CYP3A4 P08684 1/20 0.31

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
SCHEMBL9244552 0.91 ALDH1A1 (0.39) PSMB5RXRARXRBCRHR1CYP1A2
SCHEMBL15679738 0.90 PSMB5 (0.37) PSMB5TNKS2RXRARXRBCYP1A2
SCHEMBL17138224 0.89 PSMB5 (0.39) PSMB5TNKS2CYP1A2CYP2A6ALDH1A1
SCHEMBL16344198 0.87 PSMB5 (0.42) PSMB5TNKS2CYP1A2CYP2A6ALDH1A1
SCHEMBL3477723 0.87 CYP1A2 (0.41) PSMB5CRHR1CYP1A2CYP2A6ALDH1A1
SCHEMBL17138223 0.86 TNKS2 (0.37) PSMB5TNKS2CYP1A2ALDH1A1LMNA
SCHEMBL24237963 0.85 L3MBTL1 (0.38) PSMB5CRHR1CYP1A2CYP2A6ALDH1A1
SCHEMBL30716053 0.85 L3MBTL1 (0.38) PSMB5CRHR1CYP1A2CYP2A6ALDH1A1
SCHEMBL1115692 0.85 L3MBTL1 (0.43) PSMB5CRHR1CYP1A2CYP2A6ALDH1A1
SCHEMBL19241177 0.84 MEN1 (0.40) PSMB5ALDH1A1LMNASMN1; SMN2MEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7807277-B2 Amine compound and organic light-emitting device CANON KABUSHIKI KAISHA (JP) 2010-10-05 US disclosed
US-7807277-B2 Amine compound and organic light-emitting device CANON KABUSHIKI KAISHA (JP) 2010-10-05 US disclosed
US-20080124573-A1 AMINE COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE CANON KABUSHIKI KAISHA (JP) 2008-05-29 US disclosed
US-20080124573-A1 AMINE COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE CANON KABUSHIKI KAISHA (JP) 2008-05-29 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-20080124573-A1 AMINE COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE AHR, HTR1D, TPH1 PSMB5 2563/4885TNKS2 2499/4885RXRA 1129/4885

“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.