SCHEMBL19831775

SCHEMBL19831775

c1ccc(-c2nc3ccccc3nc2-n2c3cc4c(cc3c3c5ccccc5ccc32)sc2c3ccccc3ccc42)cc1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 2/20 0.36
CYP1B1 Q16678 2/20 0.36
HRH4 Q9H3N8 1/20 0.36
CASP1 P29466 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TOP1 P11387 1/20 0.32
TOP2A P11388 1/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
HTT P42858 1/20 0.32
CYP1A2 P05177 1/20 0.30
MAPK9 P45984 1/20 0.30
MAPK14 Q16539 1/20 0.30
GAA P10253 1/20 0.30
HPGD P15428 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
SCHEMBL19831828 0.91 HRH4 (0.36) HRH4CASP1HSD17B10KDM4EALDH1A1
SCHEMBL19832028 0.90 CYP1A1 (0.34) CYP1A1CYP1B1
SCHEMBL21941536 0.89 CYP1A1 (0.35) CYP1A1CYP1B1KDM4EALDH1A1CYP1A2
SCHEMBL21941894 0.89 CYP1A1 (0.35) CYP1A1CYP1B1HRH4CASP1HSD17B10
SCHEMBL22277064 0.87 CASP1 (0.34) HRH4CASP1HSD17B10KDM4EALDH1A1
SCHEMBL22277007 0.87 CYP1A1 (0.36) CYP1A1CYP1B1HRH4CASP1HSD17B10
SCHEMBL19831776 0.86 CYP1A1 (0.33) CYP1A1CYP1B1HRH4
SCHEMBL19831829 0.86 CYP1A1 (0.34) CYP1A1CYP1B1KDM4EALDH1A1HPGD
SCHEMBL21942071 0.85 CYP1A1 (0.35) CYP1A1CYP1B1HRH4CASP1HSD17B10
SCHEMBL21707369 0.84 HSD17B10 (0.36) CYP1A1CYP1B1HRH4CASP1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11205755-B2 Compound for organic electronic element, organic electronic element using same, and electronic device thereof DUK SAN NEOLUX CO., LTD. (KR) 2021-12-21 US disclosed
US-20190189927-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2019-06-20 US disclosed
WO-2018021737-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2018-02-01 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-11205755-B2 Compound for organic electronic element, organic electronic element using same, and electronic device thereof PIEZO1, OR51E2, ORAI2 CYP1A1 3577/4885CYP1B1 4395/4885HRH4 4161/4885

“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.