SCHEMBL12367606

SCHEMBL12367606

CC(C)(C)c1ccc(-c2ccc(-c3ccc(Br)cc3)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 4/20 0.56
ALDH1A1 P00352 4/20 0.48
TSHR P16473 2/20 0.48
MAPK1 P28482 1/20 0.48
LMNA P02545 2/20 0.46
TYR P14679 1/20 0.46
XDH P47989 1/20 0.44
NPC1 O15118 5/20 0.43
RAB9A P51151 5/20 0.43
CYP2A6 P11509 1/20 0.42
HDAC1 Q13547 1/20 0.41
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
KDM4E B2RXH2 2/20 0.39
HTR1D P28221 1/20 0.39
ADRA1A P35348 1/20 0.39
NISCH Q9Y2I1 1/20 0.39
HTT P42858 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
MITF O75030 2/20 0.39

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
SCHEMBL177404 1.00 KIF11 (0.56) KIF11ALDH1A1TSHRMAPK1LMNA
SCHEMBL13813551 0.93 KIF11 (0.50) KIF11ALDH1A1TSHRMAPK1LMNA
SCHEMBL5758 0.92 TSHR (0.55) KIF11ALDH1A1TSHRMAPK1LMNA
SCHEMBL21340595 0.90 KIF11 (0.46) KIF11ALDH1A1TSHRMAPK1LMNA
SCHEMBL3202679 0.89 TSHR (0.52) KIF11ALDH1A1TSHRMAPK1LMNA
Biphenyl SCHEMBL7702707 0.88 ALDH1A1 (0.61) KIF11ALDH1A1TSHRMAPK1LMNA
SCHEMBL680028 0.87 KIF11 (0.45) KIF11ALDH1A1TSHRMAPK1LMNA
SCHEMBL22770719 0.87 KIF11 (0.45) KIF11ALDH1A1TSHRMAPK1LMNA
SCHEMBL2252159 0.87 NPC1 (0.58) KIF11ALDH1A1TSHRMAPK1LMNA
SCHEMBL12311647 0.87 NPC1 (0.58) KIF11ALDH1A1TSHRMAPK1LMNA

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-9139522-B2 Aromatic amine derivative and organic electroluminescent device using the same MITSUI CHEMICALS, INC. (JP) 2015-09-22 US disclosed
US-9139522-B2 Aromatic amine derivative and organic electroluminescent device using the same MITSUI CHEMICALS, INC. (JP) 2015-09-22 US disclosed
US-20110198581-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME MITSUI CHEMICALS, INC. (JP) 2011-08-18 US disclosed
US-20110198581-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME MITSUI CHEMICALS, INC. (JP) 2011-08-18 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-20110198581-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME AOC2, NAT1, ALKBH1 KIF11 2178/4885ALDH1A1 51/4885TSHR 3631/4885

“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.