SCHEMBL17828826

SCHEMBL17828826

c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5c(-c6cccc7c6c6ccccc6n7-c6ccccc6)cccc54)cc3)c3ccc4ccccc4c3n2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP1B1 Q16678 1/20 0.38
KMT2A Q03164 4/20 0.36
ATM Q13315 3/20 0.36
MEN1 O00255 3/20 0.36
KDM4E B2RXH2 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
ALDH1A1 P00352 4/20 0.34
MAPT P10636 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
TP53 P04637 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
NFKB1 P19838 1/20 0.34
MAPK1 P28482 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL17828850 0.99 CYP1A1 (0.37) CYP1A1CYP1A2CYP1B1KMT2AATM
SCHEMBL17829036 0.99 CYP1A1 (0.39) CYP1A1CYP1A2CYP1B1KMT2AATM
SCHEMBL17828848 0.94 ATM (0.33) CYP1A1CYP1A2CYP1B1KMT2AATM
SCHEMBL17828847 0.94 ATM (0.35) CYP1A1CYP1A2CYP1B1KMT2AATM
SCHEMBL17829075 0.93 ATM (0.35) CYP1A1CYP1A2CYP1B1KMT2AATM
SCHEMBL17828843 0.93 ATM (0.35) CYP1A1CYP1A2CYP1B1KMT2AATM
SCHEMBL17828819 0.93 ALDH1A1 (0.35) CYP1A1CYP1A2CYP1B1KMT2AATM
SCHEMBL18058347 0.93 ATM (0.35) CYP1A1CYP1A2CYP1B1KMT2AATM
SCHEMBL17828879 0.92 ATM (0.35) CYP1A1CYP1A2CYP1B1KMT2AATM
SCHEMBL17829113 0.92 ATM (0.35) CYP1A1CYP1A2CYP1B1KMT2AATM

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 CYP1A1 829/4885CYP1A2 1870/4885CYP1B1 993/4885

“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.