SCHEMBL29918656

SCHEMBL29918656

Clc1ccc2oc3cccc(-c4nc(-c5ccccc5)nc(-c5cccc6oc7ccccc7c56)n4)c3c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 4/20 0.44
ADORA3 P0DMS8 2/20 0.43
TNKS O95271 1/20 0.43
NPC1 O15118 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
CASP3 P42574 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
ABCG2 Q9UNQ0 3/20 0.41
PDE5A O76074 2/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.40
NR1I3 Q14994 1/20 0.40
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL19802125 0.97 AHR (0.47) AHRADORA3TNKSNPC1MAPK1
SCHEMBL30737668 0.97 AHR (0.47) AHRADORA3TNKSNPC1MAPK1
SCHEMBL23822576 0.95 AHR (0.41) AHRADORA3TNKSNPC1MAPK1
SCHEMBL19802143 0.95 AHR (0.44) AHRADORA3TNKSNPC1MAPK1
SCHEMBL19802873 0.94 AHR (0.43) AHRADORA3TNKSNPC1MAPK1
SCHEMBL22178267 0.93 AHR (0.43) AHRADORA3TNKSNPC1MAPK1
SCHEMBL23058684 0.93 AHR (0.50) AHRADORA3TNKSNPC1MAPK1
SCHEMBL21573691 0.93 AHR (0.43) AHRADORA3TNKSNPC1MAPK1
SCHEMBL21191941 0.92 AHR (0.55) AHRNPC1MAPK1HTTRAB9A
SCHEMBL20269675 0.92 NR1I3 (0.47) AHRNPC1MAPK1RAB9ASMN1; SMN2

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-12595256-B2 Composition for organic electronic devices MERCK PATENT GMBH (DE) 2026-04-07 US disclosed
US-20230080974-A1 COMPOSITION FOR ORGANIC ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2023-03-16 US disclosed
US-20220332724-A1 COMPOSITION FOR ORGANIC ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2022-10-20 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 (2 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-20220332724-A1 COMPOSITION FOR ORGANIC ELECTRONIC DEVICES SLCO2B1, SLCO2A1, SLCO4C1 AHR 205/4885ADORA3 1493/4885TNKS 3988/4885
US-12595256-B2 Composition for organic electronic devices ABCB7, CYP1B1, AHR AHR 3/4885ADORA3 273/4885TNKS 4004/4885

“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.