SCHEMBL18859286

SCHEMBL18859286

Nc1ccc(Br)c2cccc(-c3ccccc3)c12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
HSD17B10 Q99714 1/20 0.45
MAPK1 P28482 1/20 0.45
KEAP1 Q14145 2/20 0.44
NFE2L2 Q16236 2/20 0.44
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
CYP1A2 P05177 3/20 0.44
HKDC1 Q2TB90 1/20 0.42
LIMK1 P53667 2/20 0.41
CLK4 Q9HAZ1 2/20 0.41
MAP4K4 O95819 1/20 0.41
CSF1R P07333 1/20 0.41
FGFR1 P11362 1/20 0.41
PDGFRA P16234 1/20 0.41
LTK P29376 1/20 0.41
KDR P35968 1/20 0.41
MAPK8 P45983 1/20 0.41
CSNK1A1 P48729 1/20 0.41
CDK5 Q00535 1/20 0.41

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
SCHEMBL15457926 0.85 CYP1A2 (0.58) ALDH1A1MAPK1CYP1A2HKDC1CYP1B1
SCHEMBL9404215 0.78 ALDH1A1 (0.48) ALDH1A1HSD17B10KEAP1NFE2L2CRHBP
SCHEMBL29583348 0.78 ALDH1A1 (0.48) ALDH1A1HSD17B10KEAP1NFE2L2CRHBP
SCHEMBL18859387 0.77 ALDH1A1 (0.46) ALDH1A1HSD17B10KEAP1NFE2L2CRHBP
SCHEMBL13002347 0.76 CYP1A2 (0.53) ALDH1A1MAPK1CYP1A2HKDC1CYP1B1
SCHEMBL24945277 0.76 ALDH1A1 (0.50) ALDH1A1HSD17B10MAPK1KEAP1NFE2L2
SCHEMBL22717171 0.75 CYP1A2 (0.44) ALDH1A1MAPK1CYP1A2CYP1B1MAPT
SCHEMBL20259109 0.75 CYP1A2 (0.51) ALDH1A1HSD17B10MAPK1KEAP1NFE2L2
SCHEMBL20033065 0.74 ALDH1A1 (0.65) ALDH1A1HSD17B10MAPK1CYP1A2HKDC1
SCHEMBL21368134 0.73 CYP1A2 (0.53) ALDH1A1MAPK1CYP1A2HKDC1CYP1B1

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-20170141311-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING SAME, AND ELECTRONIC DEVICE COMPRISING SAME DUK SAN NEOLUX CO., LTD (KR) 2017-05-18 US disclosed
US-20170141311-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING SAME, AND ELECTRONIC DEVICE COMPRISING SAME DUK SAN NEOLUX CO., LTD (KR) 2017-05-18 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-20170141311-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING SAME, AND ELECTRONIC DEVICE COMPRISING SAME OR51E2, OR10J3, ORAI2 ALDH1A1 1863/4885HSD17B10 2979/4885MAPK1 2806/4885

“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.