SCHEMBL10042628

SCHEMBL10042628

CC(C)c1ccc(/C=C/c2ccc(N(c3ccc(/C=C/c4ccc(C(C)C)cc4)cc3)c3ccc(/C=C/c4ccc(C(C)C)cc4)cc3)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.52
PTGS2 P35354 1/20 0.52
KDM4E B2RXH2 2/20 0.50
TYR P14679 1/20 0.50
MAPK1 P28482 1/20 0.50
SMN1; SMN2 Q16637 6/20 0.44
RAB9A P51151 5/20 0.44
NPC1 O15118 4/20 0.44
LMNA P02545 3/20 0.44
ALDH1A1 P00352 3/20 0.44
RELA Q04206 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
NFE2L2 Q16236 1/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
POLB P06746 1/20 0.42
CYP2C9 P11712 1/20 0.41
APP P05067 4/20 0.41
MAPT P10636 2/20 0.40

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
SCHEMBL18353270 0.92 RELA (0.50) PTGS1PTGS2KDM4ETYRMAPK1
SCHEMBL12292310 0.92 RELA (0.50) PTGS1PTGS2KDM4ETYRMAPK1
SCHEMBL14491181 0.88 RELA (0.46) PTGS1PTGS2KDM4ETYRMAPK1
SCHEMBL13679125 0.88 PTGS1 (0.50) PTGS1PTGS2KDM4ETYRMAPK1
SCHEMBL25622462 0.86 TRPM8 (0.48) PTGS1PTGS2KDM4ETYRMAPK1
SCHEMBL14196508 0.86 RELA (0.44) PTGS1PTGS2KDM4ETYRMAPK1
SCHEMBL13380679 0.86 PTGS1 (0.45) PTGS1PTGS2KDM4ETYRMAPK1
SCHEMBL15223124 0.86 PTGS1 (0.41) PTGS1PTGS2KDM4ETYRMAPK1
SCHEMBL23918549 0.86 TYR (0.64) PTGS1PTGS2KDM4ETYRMAPK1
SCHEMBL12922764 0.86 TYR (0.44) PTGS1KDM4ETYRMAPK1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8932735-B2 Aromatic amine derivative and organic electroluminescent element comprising the same IDEMITSU KOSAN CO., LTD. (JP) 2015-01-13 US disclosed
US-8932735-B2 Aromatic amine derivative and organic electroluminescent element comprising the same IDEMITSU KOSAN CO., LTD. (JP) 2015-01-13 US disclosed
EP-2423179-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME Idemitsu Kosan Co., Ltd. (JP) 2012-02-29 EP disclosed
US-20120043533-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2012-02-23 US disclosed
US-20120043533-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2012-02-23 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-20120043533-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING THE SAME AOC2, AOC3, H1-4 PTGS1 3501/4885PTGS2 3422/4885KDM4E 1332/4885

“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.