SCHEMBL19786644

SCHEMBL19786644

c1ccc(-c2cccc(-n3c4ccccc4c4c5c6ccc7ccccc7c6sc5c5ccccc5c43)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 3/20 0.41
CYP1B1 Q16678 3/20 0.41
CYP1A2 P05177 2/20 0.35
ATM Q13315 2/20 0.32
KDM4E B2RXH2 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
KMT2A Q03164 1/20 0.31
PDE10A Q9Y233 1/20 0.31
FAAH O00519 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HSP90AA1 P07900 1/20 0.30
PKM P14618 1/20 0.30
HTT P42858 1/20 0.30
MGLL Q99685 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
SCHEMBL19786641 0.92 CYP1A1 (0.40) CYP1A1CYP1B1CYP1A2
SCHEMBL19786535 0.89 ATM (0.41) CYP1A1CYP1B1CYP1A2ATMKDM4E
SCHEMBL19786545 0.89 CYP1A1 (0.37) CYP1A1CYP1B1CYP1A2KDM4EMEN1
SCHEMBL19786550 0.86 PMM2 (0.36) CYP1A1CYP1B1CYP1A2GAAALDH1A1
SCHEMBL19786533 0.86 CYP1B1 (0.34) CYP1A1CYP1B1CYP1A2ALDH1A1
SCHEMBL19786645 0.86 CYP1A2 (0.38) CYP1A1CYP1B1CYP1A2ALDH1A1
SCHEMBL19786320 0.85 KDM4E (0.35) CYP1A1CYP1B1CYP1A2ATMKDM4E
SCHEMBL17990842 0.85 CYP1A1 (0.41) CYP1A1CYP1B1CYP1A2ATMKDM4E
SCHEMBL24519006 0.85 CYP1A1 (0.32) CYP1A1CYP1B1CYP1A2
SCHEMBL20390234 0.85 MAPT (0.35) ATMKDM4EL3MBTL1FAAHALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190300535-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC DEVICE USING SAME, AND ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2019-10-03 US disclosed
WO-2018012781-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC DEVICE USING SAME, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2018-01-18 WO 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-20190300535-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC DEVICE USING SAME, AND ELECTRONIC DEVICE THEREOF ORC3, OR51E2, ORAI2 CYP1A1 3556/4885CYP1B1 4207/4885CYP1A2 2971/4885

“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.