SCHEMBL18090347

SCHEMBL18090347

Brc1cc(N(c2ccccc2)c2ccccc2)cc(N(c2ccc(-c3ccc4ccccc4c3)cc2)c2ccc(-c3ccc4ccccc4c3)cc2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.44
ESR2 Q92731 3/20 0.44
CYP2A6 P11509 1/20 0.41
ALOX5 P09917 1/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
HSD17B1 P14061 1/20 0.39
HSD17B2 P37059 1/20 0.39
ALDH1A1 P00352 4/20 0.37
CYP1A2 P05177 3/20 0.37
KDM4E B2RXH2 2/20 0.37
MEN1 O00255 1/20 0.37
TP53 P04637 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ACMSD Q8TDX5 1/20 0.37
GSTP1 P09211 1/20 0.37
CYP17A1 P05093 1/20 0.37

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
SCHEMBL18090558 1.00 ESR1 (0.44) ESR1ESR2CYP2A6ALOX5CA1
SCHEMBL18090366 0.92 CYP2A6 (0.40) ESR1ESR2CYP2A6ALOX5HSD17B1
SCHEMBL12003716 0.92 ESR1 (0.42) ESR1ESR2HSD17B1HSD17B2ALDH1A1
SCHEMBL18090467 0.92 ESR1 (0.42) ESR1ESR2HSD17B1HSD17B2ALDH1A1
SCHEMBL19960911 0.91 HSD17B1 (0.38) ESR1ESR2CYP2A6ALOX5CA1
SCHEMBL12061272 0.90 CYP2A6 (0.41) ESR1ESR2CYP2A6ALOX5HSD17B1
SCHEMBL18090352 0.90 CYP2A6 (0.41) ESR1ESR2CYP2A6ALOX5HSD17B1
SCHEMBL12476179 0.90 CYP2A6 (0.48) ESR1ESR2CYP2A6ALOX5CA1
SCHEMBL12061280 0.88 CYP2A6 (0.45) CYP2A6CA1CA2CA9ALDH1A1
SCHEMBL19960908 0.88 CYP2A6 (0.45) CYP2A6CA1CA2CA9ALDH1A1

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-20180072695-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT COMPRISING THE SAME AND ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2018-03-15 US disclosed
WO-2016148425-A2 COMPOUND FOR ORGANIC ELECTRIC DEVICE, ORGANIC ELECTRIC DEVICE USING SAME, AND ELECTRONIC APPARATUS FOR SAME 덕산네오룩스 주식회사 2016-09-22 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-20180072695-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT COMPRISING THE SAME AND ELECTRONIC DEVICE THEREOF PIEZO1, OCIAD1, LEF1 ESR1 27/4885ESR2 173/4885CYP2A6 2275/4885

“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.