SCHEMBL1103585

SCHEMBL1103585

Cc1ccccc1-c1c2ccccc2c(-c2cccc3ccccc23)c2c1cnc1ccccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.40
KDM4E B2RXH2 1/20 0.39
GPR3 P46089 1/20 0.39
CYP1A2 P05177 3/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C19 P33261 2/20 0.39
CLK4 Q9HAZ1 2/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP2A6 P11509 1/20 0.39
ADORA2A P29274 1/20 0.38
CDK4 P11802 1/20 0.37
CCND1 P24385 1/20 0.37
AR P10275 1/20 0.36
USP2 O75604 1/20 0.36
CYP3A4 P08684 1/20 0.36
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PDPK1 O15530 1/20 0.35

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
SCHEMBL1103247 0.92 KDM4E (0.46) DHFRKDM4EGPR3CYP1A2TSHR
SCHEMBL1103259 0.92 CDK4 (0.42) KDM4EGPR3CYP1A2CYP2D6CYP2C19
SCHEMBL1103468 0.90 KDM4E (0.44) DHFRKDM4EGPR3CYP1A2TSHR
SCHEMBL1103589 0.89 SMN1; SMN2 (0.37) DHFRKDM4EGPR3CYP1A2TSHR
SCHEMBL1103569 0.87 KDM4E (0.42) DHFRKDM4EGPR3CYP1A2TSHR
SCHEMBL1103360 0.86 KDM4E (0.43) DHFRKDM4EGPR3CYP1A2TSHR
SCHEMBL1103610 0.85 KDM4E (0.40) DHFRKDM4EGPR3CYP1A2TSHR
SCHEMBL1103588 0.85 DHFR (0.36) DHFRKDM4EGPR3CYP1A2PDPK1
SCHEMBL1103586 0.84 FLT3 (0.41) DHFRKDM4EGPR3CYP1A2ALDH1A1
SCHEMBL1103565 0.84 MAPT (0.42) DHFRKDM4EGPR3TSHRMAPK1

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 DHFR 3167/4885KDM4E 3367/4885GPR3 1503/4885

“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.