SCHEMBL17828922

SCHEMBL17828922

c1ccc(-n2c3ccccc3c3cc(-c4ccc5c6ccccc6n(-c6cccc(-c7nc(-c8ccc9cc(-n%10c%11ccccc%11c%11ccc(-c%12ccc%13c(c%12)c%12ccccc%12n%13-c%12ccccc%12)cc%11%10)ccc9c8)nc8c7ccc7ccccc78)c6)c5c4)ccc32)cc1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PTGER4 P35408 1/20 0.33
F2 P00734 1/20 0.33
F10 P00742 1/20 0.33
PRSS1 P07477 1/20 0.33
CYP1A1 P04798 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP1B1 Q16678 1/20 0.32
NPY5R Q15761 1/20 0.31
MAPK9 P45984 1/20 0.30
MAPK10 P53779 1/20 0.30

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
SCHEMBL17829127 0.98 KDM4E (0.36) KDM4EATML3MBTL1PTGER4F2
SCHEMBL17828932 0.97 ATM (0.37) KDM4EATML3MBTL1F2F10
SCHEMBL17828921 0.97 ATM (0.37) KDM4EATML3MBTL1PTGER4F2
SCHEMBL17829125 0.95 KDM4E (0.35) KDM4EATML3MBTL1PTGER4F2
SCHEMBL17828833 0.95 ATM (0.37) KDM4EATML3MBTL1PTGER4F2
SCHEMBL17828998 0.95 ATM (0.37) KDM4EATML3MBTL1PTGER4F2
SCHEMBL17828923 0.95 ATM (0.37) KDM4EATML3MBTL1PTGER4F2
SCHEMBL17879012 0.95 ATM (0.38) KDM4EATML3MBTL1PTGER4F2
SCHEMBL17829130 0.95 ATM (0.38) KDM4EATML3MBTL1PTGER4F2
SCHEMBL17828805 0.94 ATM (0.36) KDM4EATML3MBTL1PTGER4F2

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-9508939-B2 Compound and organic electroluminescent element produced using same IDEMITSU KOSAN CO., LTD. (JP) 2016-11-29 US disclosed
US-9508939-B2 Compound and organic electroluminescent element produced using same IDEMITSU KOSAN CO., LTD. (JP) 2016-11-29 US disclosed
US-20160172604-A1 NOVEL COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT PRODUCED USING SAME IDEMITSU KOSAN CO., LTD. (JP) 2016-06-16 US disclosed
US-20160172604-A1 NOVEL COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT PRODUCED USING SAME IDEMITSU KOSAN CO., LTD. (JP) 2016-06-16 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-20160172604-A1 NOVEL COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT PRODUCED USING SAME L1CAM, LEF1, EML4 KDM4E 2236/4885ATM 2921/4885L3MBTL1 271/4885

“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.