SCHEMBL2790909

SCHEMBL2790909

c1ccc(-c2cccnc2-c2cccc3c(-c4ccccc4)c4ccccc4c(-c4cccc5ccccc45)c23)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.40
TOP2A P11388 1/20 0.39
KDM4E B2RXH2 6/20 0.38
MAPT P10636 5/20 0.38
ALDH1A1 P00352 5/20 0.38
HPGD P15428 4/20 0.38
HSD17B10 Q99714 4/20 0.38
ENPP1 P22413 2/20 0.38
GAA P10253 1/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
TP53 P04637 2/20 0.38
MAPK1 P28482 2/20 0.38
TSHR P16473 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
ATM Q13315 1/20 0.38

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
SCHEMBL9613128 0.86 TNF (0.43) TNFTOP2AKDM4EMAPTALDH1A1
SCHEMBL27783171 0.83 TGFBR1 (0.38) TNFTOP2AKDM4EMAPTALDH1A1
SCHEMBL9613137 0.81 BCHE (0.42) TNFKDM4EMAPTALDH1A1HPGD
SCHEMBL19873098 0.79 MAPT (0.44) TNFKDM4EMAPTALDH1A1HPGD
SCHEMBL28495403 0.76 ENPP1 (0.44) TNFKDM4EMAPTALDH1A1HPGD
SCHEMBL1102981 0.76 TNF (0.46) TNFKDM4EMAPTALDH1A1HPGD
SCHEMBL1103095 0.76 KDM4E (0.40) TNFKDM4EMAPTALDH1A1HPGD
SCHEMBL1103117 0.76 KDM4E (0.40) TNFKDM4EMAPTALDH1A1HPGD
SCHEMBL1103184 0.76 KDM4E (0.40) TNFKDM4EMAPTALDH1A1HPGD
SCHEMBL4312191 0.76 ALDH1A1 (0.46) TNFKDM4EMAPTALDH1A1HPGD

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
CN-101747262-B Electron transport-injection compound and organic electroluminescent device using the same LG DISPLAY CO LTD 2012-11-07 CN disclosed
CN-102617456-A Electron transporting-injection compound and organic electroluminescent device using the same LG DISPLAY CO LTD 2012-08-01 CN disclosed
US-20100164371-A1 ELECTRON TRANSPORTING-INJECTION COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME LG. DISPLAY CO. LTD. (KR) 2010-07-01 US disclosed
CN-101747262-A Electron transport-injection compound and organic electroluminescent device using the same LG DISPLAY CO LTD 2010-06-23 CN 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-20100164371-A1 ELECTRON TRANSPORTING-INJECTION COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME SLCO4C1, SLCO2A1, SLCO2B1 TNF 4506/4885TOP2A 4455/4885KDM4E 3919/4885

“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.