SCHEMBL1103309

SCHEMBL1103309

c1ccc2c(c1)CCCN2c1c2ccccc2c(N2CCCc3ccccc32)c2c1cnc1ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 1/20 0.44
TUBB4A P04350 3/20 0.41
TUBB P07437 3/20 0.41
TUBA3C P0DPH7 3/20 0.41
TUBA1B P68363 3/20 0.41
TUBA4A P68366 3/20 0.41
TUBB4B P68371 3/20 0.41
TUBB3 Q13509 3/20 0.41
TUBB2A Q13885 3/20 0.41
TUBB8 Q3ZCM7 3/20 0.41
TUBA3E Q6PEY2 3/20 0.41
TUBA1A Q71U36 3/20 0.41
TUBA1C Q9BQE3 3/20 0.41
TUBB6 Q9BUF5 3/20 0.41
TUBB2B Q9BVA1 3/20 0.41
TUBB1 Q9H4B7 3/20 0.41
EGFR P00533 1/20 0.41
PDGFRB P09619 1/20 0.41
KDR P35968 1/20 0.41
JAK2 O60674 1/20 0.41

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
SCHEMBL1103323 0.78 MPO (0.35) SMN1; SMN2HTTLMNAKDM4E
SCHEMBL1102659 0.75 ROCK1 (0.48) ROCK1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL8649255 0.74 EGFR (0.68) ROCK1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL1102971 0.74 KMT2A (0.51) ROCK1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL1103321 0.72 MPO (0.35) LMNAKDM4EHPGDTP53
SCHEMBL11880068 0.70 ROCK1 (0.50) ROCK1JAK2JAK3PTK2KMT2A
SCHEMBL8332339 0.69 ROCK1 (0.50) ROCK1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL1103442 0.69 TLR7 (0.35) SMN1; SMN2HTTLMNAALDH1A1KDM4E
SCHEMBL1103313 0.69 CDK4 (0.36) PTK2SMN1; SMN2ALDH1A1KDM4EMAPT
SCHEMBL5245431 0.67 ROCK1 (0.63) ROCK1JAK2JAK3PTK2STAT3

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-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

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 4082/4885TUBB4A 4106/4885TUBB 4330/4885

“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.