SCHEMBL4401836

SCHEMBL4401836

O=C(C[n+]1ccccc1)c1ccc(Br)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PABPC1 P11940 2/20 0.67
KDM4E B2RXH2 1/20 0.67
MAPT P10636 2/20 0.63
HTT P42858 2/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
ALDH1A1 P00352 3/20 0.58
RECQL P46063 1/20 0.58
KMT2A Q03164 5/20 0.56
MEN1 O00255 3/20 0.54
RAB9A P51151 1/20 0.53
AHR P35869 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
GSK3B P49841 2/20 0.52
USP2 O75604 1/20 0.50
LMNA P02545 1/20 0.49
ATM Q13315 1/20 0.49
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48

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
Iodide SCHEMBL1485891 0.98 PABPC1 (0.70) PABPC1KDM4EMAPTHTTSMN1; SMN2
Bromide SCHEMBL2691176 0.98 KDM4E (0.70) PABPC1KDM4EMAPTHTTSMN1; SMN2
SCHEMBL765905 0.84 KDM4E (0.76) PABPC1KDM4EMAPTHTTSMN1; SMN2
Bromide SCHEMBL2695097 0.84 RAB9A (0.70) PABPC1KDM4EMAPTHTTSMN1; SMN2
Hydrochloric Acid SCHEMBL2527501 0.82 KMT2A (0.73) PABPC1KDM4EMAPTHTTSMN1; SMN2
Bromide SCHEMBL27941533 0.82 KDM4E (0.79) PABPC1KDM4EMAPTHTTSMN1; SMN2
Ammonia Solution, Strong SCHEMBL28760030 0.82 KDM4E (0.73) PABPC1KDM4EMAPTHTTSMN1; SMN2
Bromide SCHEMBL698678 0.82 KDM4E (0.79) PABPC1KDM4EMAPTHTTSMN1; SMN2
SCHEMBL28520864 0.82 KDM4E (0.73) PABPC1KDM4EMAPTHTTSMN1; SMN2
Bromide SCHEMBL27941532 0.82 KDM4E (0.73) PABPC1KDM4EMAPTHTTSMN1; 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-9147849-B2 Electron transport material and organic electroluminescent device using the same ALPHA CHEM CO., LTD. (KR) 2015-09-29 US disclosed
US-20140054561-A1 Electron Transport Material and Organic Electroluminescent Device Using the Same ALPHA CHEM CO., LTD. (KR) 2014-02-27 US disclosed
US-20120273771-A1 COMPOUND FOR ORGANIC PHOTOELECTRIC DEVICE AND ORGANIC PHOTOELECTRIC DEVICE INCLUDING THE SAME CHEIL INDUSTRIES, INC. (KR) 2012-11-01 US disclosed
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 (2 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 PABPC1 3819/4885KDM4E 2880/4885MAPT 1949/4885
US-20120273771-A1 COMPOUND FOR ORGANIC PHOTOELECTRIC DEVICE AND ORGANIC PHOTOELECTRIC DEVICE INCLUDING THE SAME CCNT1, CCNA1, CYP1A1 PABPC1 2599/4885KDM4E 2356/4885MAPT 4042/4885

“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.