SCHEMBL1102971

SCHEMBL1102971

c1ccc2c(c1)CCCN2c1c2ccccc2c(N2CCCc3ccccc32)c2ncccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.51
L3MBTL1 Q9Y468 3/20 0.51
POLB P06746 3/20 0.51
HSD17B10 Q99714 2/20 0.51
KDM4E B2RXH2 2/20 0.51
MAPT P10636 2/20 0.51
USP2 O75604 1/20 0.51
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
TP53 P04637 1/20 0.51
ALOX12 P18054 1/20 0.51
MAPK1 P28482 1/20 0.51
HTT P42858 1/20 0.51
ROCK1 Q13464 2/20 0.50
JAK2 O60674 1/20 0.40
JAK3 P52333 1/20 0.40
PTK2 Q05397 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM1 P11229 1/20 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
SCHEMBL1102659 0.78 ROCK1 (0.48) KMT2AL3MBTL1POLBHSD17B10KDM4E
SCHEMBL5245431 0.77 ROCK1 (0.63) KMT2AL3MBTL1POLBHSD17B10KDM4E
SCHEMBL1102903 0.76 KDM4E (0.43) KMT2AL3MBTL1POLBHSD17B10KDM4E
SCHEMBL28506498 0.75 ROCK1 (0.54) KMT2AL3MBTL1POLBHSD17B10KDM4E
SCHEMBL18012073 0.74 ROCK1 (0.64) KMT2AL3MBTL1KDM4EMAPTALDH1A1
SCHEMBL1103309 0.74 ROCK1 (0.44) KMT2AL3MBTL1HSD17B10KDM4EMAPT
SCHEMBL21788620 0.74 ROCK1 (0.56) KMT2AL3MBTL1POLBHSD17B10KDM4E
SCHEMBL11880068 0.73 ROCK1 (0.50) KMT2AL3MBTL1MAPTALDH1A1MAPK1
SCHEMBL2083080 0.71 ROCK1 (0.53) KMT2AL3MBTL1POLBHSD17B10KDM4E
SCHEMBL2082045 0.71 ROCK1 (0.50) KMT2AL3MBTL1POLBHSD17B10KDM4E

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-8153279-B2 Organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2012-04-10 US disclosed
US-8153279-B2 Organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2012-04-10 US disclosed
US-20100033083-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2010-02-11 US disclosed
US-20100033083-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2010-02-11 US disclosed
EP-2147962-A1 Azaanthracene-derivatives and organic electroluminescent device using the same Gracel Display Inc. (KR) 2010-01-27 EP 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-20100033083-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same ORMDL3, OCIAD2, OCIAD1 KMT2A 3930/4885L3MBTL1 1629/4885POLB 2825/4885

“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.