SCHEMBL1103479

SCHEMBL1103479

c1ccc(-c2c3ccccc3c(-c3ccc(-c4c5ccccc5c(-c5ccc(-c6c7ccccc7c(-c7ccccc7)c7c6cnc6ccccc67)cc5)c5c4cnc4ccccc45)cc3)c3cnc4ccccc4c23)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.42
ESR2 Q92731 3/20 0.42
ADORA2A P29274 1/20 0.42
ALDH1A1 P00352 5/20 0.41
MAPT P10636 3/20 0.41
HPGD P15428 3/20 0.41
KDM4E B2RXH2 2/20 0.41
LMNA P02545 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
POLB P06746 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HTT P42858 3/20 0.41
NPSR1 Q6W5P4 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CDK4 P11802 1/20 0.41
CCND1 P24385 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
SCHEMBL1103491 1.00 ESR1 (0.42) ESR1ESR2ADORA2AALDH1A1MAPT
SCHEMBL1103449 1.00 ESR1 (0.42) ESR1ESR2ADORA2AALDH1A1MAPT
SCHEMBL1103486 1.00 ESR1 (0.42) ESR1ESR2ADORA2AALDH1A1MAPT
SCHEMBL1103301 0.98 ESR1 (0.41) ESR1ESR2ADORA2AALDH1A1MAPT
SCHEMBL1103464 0.98 ESR1 (0.41) ESR1ESR2ADORA2AALDH1A1MAPT
SCHEMBL1103380 0.98 ESR1 (0.41) ESR1ESR2ADORA2AALDH1A1MAPT
SCHEMBL1103249 0.98 ESR1 (0.41) ESR1ESR2ADORA2AALDH1A1MAPT
SCHEMBL1105452 0.98 ESR1 (0.43) ESR1ESR2ADORA2AALDH1A1MAPT
SCHEMBL1103426 0.94 ALDH1A1 (0.39) ESR1ESR2ADORA2AALDH1A1MAPT
SCHEMBL1103411 0.92 ALDH1A1 (0.52) ADORA2AALDH1A1MAPTHPGDKDM4E

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 ESR1 1038/4885ESR2 576/4885ADORA2A 3222/4885

“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.