SCHEMBL17829109

SCHEMBL17829109

c1ccc(-c2cccc(-c3nc(-c4ccc(-n5c6ccc(-n7c8ccccc8c8ccccc87)cc6c6cc(-n7c8ccccc8c8ccccc87)ccc65)cc4)nc4c3ccc3ccccc34)c2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP1B1 Q16678 1/20 0.37
ATM Q13315 2/20 0.35
KDM4E B2RXH2 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HDAC4 P56524 1/20 0.32
PTGER4 P35408 1/20 0.32
RAC2 P15153 1/20 0.31
RAC3 P60763 1/20 0.31
CDC42 P60953 1/20 0.31
RAC1 P63000 1/20 0.31
F2 P00734 1/20 0.31
F10 P00742 1/20 0.31
PRSS1 P07477 1/20 0.31
NPY5R Q15761 1/20 0.31
NR3C1 P04150 1/20 0.31
AVPR1A P37288 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
SCHEMBL17828999 0.95 ATM (0.38) CYP1A1CYP1A2CYP1B1ATMKDM4E
SCHEMBL17828986 0.95 CYP1A1 (0.38) CYP1A1CYP1A2CYP1B1ATMKDM4E
SCHEMBL17828858 0.95 CYP1A1 (0.39) CYP1A1CYP1A2CYP1B1ATMKDM4E
SCHEMBL17829088 0.94 ATM (0.37) CYP1A1CYP1A2CYP1B1ATMKDM4E
SCHEMBL17828991 0.94 ATM (0.38) CYP1A1CYP1A2CYP1B1ATMKDM4E
SCHEMBL18213946 0.94 ATM (0.38) CYP1A1CYP1A2CYP1B1ATMKDM4E
SCHEMBL17829082 0.94 CYP1A1 (0.39) CYP1A1CYP1A2CYP1B1ATMKDM4E
SCHEMBL17829093 0.93 CYP1A1 (0.40) CYP1A1CYP1A2CYP1B1ATMKDM4E
SCHEMBL17828854 0.93 CYP1A1 (0.40) CYP1A1CYP1A2CYP1B1ATMKDM4E
SCHEMBL17828984 0.93 ATM (0.36) CYP1A1CYP1A2CYP1B1ATMKDM4E

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.