SCHEMBL10050381

SCHEMBL10050381

N#CN=C1c2cc(-c3ccc(F)cc3F)ccc2-c2ccc(-c3ccc(F)cc3F)cc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 1/20 0.41
TTR P02766 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
DHFR P00374 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
LMNA P02545 1/20 0.41
ALB P02768 1/20 0.41
HMGB1 P09429 1/20 0.41
HPGD P15428 1/20 0.41
CXCL12 P48061 1/20 0.41
KMT2A Q03164 1/20 0.41
HIF1A Q16665 1/20 0.41
SLC22A6 Q4U2R8 1/20 0.41
ACMSD Q8TDX5 1/20 0.41
HSD17B10 Q99714 1/20 0.41
KLKB1 P03952 1/20 0.37

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
SCHEMBL10050379 0.85 CYP11B2 (0.37) KDM4EMEN1LMNAKMT2AADORA1
SCHEMBL10050380 0.84 PTPRC (0.54) ACMSDALOX5APFEN1PTPRCPTPN1
SCHEMBL10075005 0.82 FEN1 (0.44) ALOX5APFEN1APP
SCHEMBL10050378 0.81 TAAR1 (0.43) KDM4EHPGDPTPN1ADORA1ADORA2A
SCHEMBL10050375 0.80 PGR (0.35)
SCHEMBL10050377 0.80 GABRG2 (0.34) PTPRCPTPN1GABRG2GABRB3GABRA5
SCHEMBL10050382 0.79 ESR1 (0.33) PTPRCPTPN1ESR1ESR2
SCHEMBL12250288 0.74 ADORA1 (0.44) ADORA1ADORA2AGABRG2GABRB3GABRA5
SCHEMBL10075608 0.74 ALDH1A1 (0.44) TDP2TTRKDM4EMEN1USP2
SCHEMBL10050370 0.74 CTSS (0.41)

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-8119828-B2 Material for an organic electroluminescence device and an organic electroluminescence device IDEMITSU KOSAN CO., LTD. (JP) 2012-02-21 US disclosed
US-8119828-B2 Material for an organic electroluminescence device and an organic electroluminescence device IDEMITSU KOSAN CO., LTD. (JP) 2012-02-21 US disclosed
US-20100044686-A1 MATERIAL FOR AN ORGANIC ELECTROLUMINESCENCE DEVICE AND AN ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2010-02-25 US disclosed
US-20100044686-A1 MATERIAL FOR AN ORGANIC ELECTROLUMINESCENCE DEVICE AND AN ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2010-02-25 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-20100044686-A1 MATERIAL FOR AN ORGANIC ELECTROLUMINESCENCE DEVICE AND AN ORGANIC ELECTROLUMINESCENCE DEVICE AFF4, KCNH3, HCN4 TDP2 4024/4885TTR 2514/4885KDM4E 573/4885

“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.