SCHEMBL19797294

SCHEMBL19797294

Brc1ccc2c(c1)-c1c(ccc3ccccc13)C21c2ccccc2-c2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.39
PDK2 Q15119 1/20 0.38
DNMT1 P26358 1/20 0.36
PTPRC P08575 1/20 0.34
DHFR P00374 1/20 0.34
TYMS P04818 1/20 0.34
TDP1 Q9NUW8 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
ALDH1A1 P00352 2/20 0.32
HSD17B10 Q99714 2/20 0.32
HIF1A Q16665 1/20 0.32
CYP1B1 Q16678 1/20 0.32
TSHR P16473 1/20 0.32
NSD2 O96028 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
HKDC1 Q2TB90 1/20 0.32
SOS1 Q07889 1/20 0.32

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
SCHEMBL19683805 0.95 CYP2A6 (0.38) CYP2A6PDK2DNMT1PTPRCDHFR
SCHEMBL19395205 0.94 DNMT1 (0.37) CYP2A6PDK2DNMT1PTPRCDHFR
SCHEMBL19797292 0.91 PDK2 (0.42) CYP2A6PDK2DNMT1PTPRCDHFR
SCHEMBL30141493 0.91 PDK2 (0.42) CYP2A6PDK2DNMT1PTPRCDHFR
SCHEMBL19822247 0.91 PDK2 (0.42) CYP2A6PDK2DNMT1PTPRCDHFR
SCHEMBL19395206 0.90 PDK2 (0.41) CYP2A6PDK2DNMT1PTPRCHSP90AA1
SCHEMBL19395207 0.90 PDK2 (0.41) CYP2A6PDK2DNMT1PTPRCHSP90AA1
SCHEMBL17740773 0.87 CYP2A6 (0.38) CYP2A6DNMT1DHFRTYMSTDP1
SCHEMBL22688461 0.86 BIRC5 (0.36) CYP2A6PDK2DNMT1
SCHEMBL19974142 0.85 DNMT1 (0.43) CYP2A6DNMT1DHFRTYMSTDP1

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
WO-2023140529-A1 ORGANIC ELECTRIC ELEMENT USING COMPOUND FOR ORGANIC ELECTRIC ELEMENT, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2023-07-27 WO disclosed
US-20180026187-A1 NOVEL COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING THE SAME, AND ELECTRONIC DEVICE COMPRISING SAME DUK SAN NEOLUX CO., LTD. (KR) 2018-01-25 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-20180026187-A1 NOVEL COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING THE SAME, AND ELECTRONIC DEVICE COMPRISING SAME EBPL, OR51E2, EML4 CYP2A6 3379/4885PDK2 1847/4885DNMT1 340/4885

“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.