SCHEMBL9971802

SCHEMBL9971802

COc1ccc(N(c2ccccc2)c2c3ccccc3cc3c(N(c4ccccc4)c4ccc(CO)cc4)c4ccccc4cc23)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 1/20 0.40
TOP2B Q02880 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
LTA4H P09960 2/20 0.39
GPR84 Q9NQS5 1/20 0.39
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MERTK Q12866 1/20 0.36
ABCB1 P08183 1/20 0.36
TUBB3 Q13509 1/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
EGFR P00533 1/20 0.36
PDGFRB P09619 1/20 0.36
KDR P35968 1/20 0.36

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
SCHEMBL12442847 0.97 MEN1 (0.41) TOP2ATOP2BMEN1KMT2AKEAP1
SCHEMBL13304000 0.89 EGFR (0.43) KEAP1NFE2L2LTA4HGPR84KDM4E
SCHEMBL13948907 0.88 LTA4H (0.44) TOP2ATOP2BMEN1KMT2AKEAP1
SCHEMBL9971766 0.87 CYP1A2 (0.44) KEAP1NFE2L2GPR84KDM4EALDH1A1
SCHEMBL18268266 0.82 LTA4H (0.52) MEN1KMT2ALTA4HCNR1CNR2
SCHEMBL6509895 0.82 LTA4H (0.52) MEN1KMT2ALTA4HCNR1CNR2
SCHEMBL19270226 0.82 LTA4H (0.52) MEN1KMT2ALTA4HCNR1CNR2
SCHEMBL28281806 0.82 TUBB3 (0.48) KEAP1NFE2L2GPR84KDM4EALDH1A1
SCHEMBL10065633 0.81 LTA4H (0.47) MEN1KMT2ALTA4HCNR1CNR2
SCHEMBL10053553 0.81 TOP2A (0.38) TOP2ATOP2BMEN1KMT2AKEAP1

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-20120153815-A1 ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2012-06-21 US disclosed
US-20120153815-A1 ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2012-06-21 US disclosed
US-20110175521-A1 ORGANIC ELECTROLUMESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2011-07-21 US disclosed
US-20110175521-A1 ORGANIC ELECTROLUMESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2011-07-21 US disclosed
US-20100160687-A1 ORGANIC ELECTROLUMESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2010-06-24 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 (3 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-20110175521-A1 ORGANIC ELECTROLUMESCENCE DEVICE SCO2, CHRM1, CHRM4 TOP2A 3770/4885TOP2B 2167/4885MEN1 1808/4885
US-20100160687-A1 ORGANIC ELECTROLUMESCENCE DEVICE SCO2, CHRM1, CHRM4 TOP2A 3770/4885TOP2B 2167/4885MEN1 1808/4885
US-20120153815-A1 ORGANIC ELECTROLUMINESCENCE DEVICE ARL1, RIF1, EML4 TOP2A 4100/4885TOP2B 3435/4885MEN1 2365/4885

“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.