SCHEMBL1102659

SCHEMBL1102659

c1ccc2c(c1)CCCN2c1c2ccccc2c(N2CCCc3ccccc32)c2cnccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 1/20 0.48
HSD17B10 Q99714 3/20 0.45
POLB P06746 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.42
JAK2 O60674 1/20 0.41
JAK3 P52333 1/20 0.41
PTK2 Q05397 1/20 0.41
NUDT1 P36639 1/20 0.40
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 3/20 0.40
MAPT P10636 3/20 0.40
NPC1 O15118 2/20 0.40
HPGD P15428 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TP53 P04637 2/20 0.40
MAPK1 P28482 2/20 0.40
TAAR1 Q96RJ0 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
TUBB4A P04350 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
SCHEMBL1102544 0.78 STAT3 (0.38) HSD17B10POLBKDM4EALDH1A1HPGD
SCHEMBL1102971 0.78 KMT2A (0.51) ROCK1HSD17B10POLBL3MBTL1JAK2
SCHEMBL9195257 0.78 ROCK1 (0.52) ROCK1HSD17B10POLBL3MBTL1JAK2
Hydrochloric Acid SCHEMBL9767541 0.77 ROCK1 (0.51) ROCK1HSD17B10POLBL3MBTL1JAK2
SCHEMBL1103309 0.75 ROCK1 (0.44) ROCK1HSD17B10L3MBTL1JAK2JAK3
SCHEMBL11880068 0.74 ROCK1 (0.50) ROCK1L3MBTL1JAK2JAK3PTK2
SCHEMBL1102505 0.72 HPGD (0.38) POLBKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL8469552 0.72 ROCK1 (0.63) ROCK1HSD17B10POLBL3MBTL1JAK2
SCHEMBL9192032 0.71 EED (0.52) ROCK1HSD17B10POLBL3MBTL1ALDH1A1
SCHEMBL5245431 0.71 ROCK1 (0.63) ROCK1HSD17B10POLBL3MBTL1JAK2

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 ROCK1 4082/4885HSD17B10 2186/4885POLB 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.