SCHEMBL1103336

SCHEMBL1103336

c1ccc2c(c1)ncc1c(-c3ccc4c5ccccc5c5ccccc5c4c3)c3ccccc3c(-c3ccc4c5ccccc5c5ccccc5c4c3)c12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 3/20 0.39
CCND1 P24385 3/20 0.39
TOP2A P11388 2/20 0.38
KDM4E B2RXH2 1/20 0.38
GPR3 P46089 1/20 0.38
PDPK1 O15530 1/20 0.37
PIK3CD O00329 1/20 0.34
PIK3CA P42336 1/20 0.34
PIK3CB P42338 1/20 0.34
MTOR P42345 1/20 0.34
PIK3CG P48736 1/20 0.34
ESR1 P03372 2/20 0.33
ESR2 Q92731 2/20 0.33
NPC1 O15118 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
RECQL P46063 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ERN1 O75460 1/20 0.32

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
SCHEMBL1103486 0.85 ESR1 (0.42) CDK4CCND1KDM4EGPR3PDPK1
SCHEMBL1103479 0.85 ESR1 (0.42) CDK4CCND1KDM4EGPR3PDPK1
SCHEMBL1103491 0.85 ESR1 (0.42) CDK4CCND1KDM4EGPR3PDPK1
SCHEMBL1103449 0.85 ESR1 (0.42) CDK4CCND1KDM4EGPR3PDPK1
SCHEMBL1103452 0.84 KDM4E (0.43) CDK4CCND1TOP2AKDM4EGPR3
SCHEMBL1103358 0.84 MAP4K4 (0.39) CDK4CCND1KDM4EGPR3PDPK1
SCHEMBL1103719 0.84 KDM4E (0.43) CDK4CCND1TOP2AKDM4EGPR3
SCHEMBL1103483 0.84 ESR1 (0.42) CDK4CCND1TOP2AKDM4EGPR3
SCHEMBL1103478 0.84 ESR1 (0.42) CDK4CCND1TOP2AKDM4EGPR3
SCHEMBL1103301 0.83 ESR1 (0.41) CDK4CCND1KDM4EGPR3ESR1

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 CDK4 1577/4885CCND1 22/4885TOP2A 4551/4885

“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.