SCHEMBL20210328

SCHEMBL20210328

CN(c1ccc(-c2ccccc2)cc1)c1ccc(C2CCCCC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
RAF1 P04049 1/20 0.42
STAT3 P40763 2/20 0.41
STAT1 P42224 1/20 0.41
STAT5B P51692 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
S1PR1 P21453 2/20 0.41
S1PR5 Q9H228 1/20 0.41
SLC18A3 Q16572 2/20 0.40
DHODH Q02127 1/20 0.40
HSP90AA1 P07900 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
NOTUM Q6P988 1/20 0.40
BRD4 O60885 1/20 0.40
PSMB5 P28074 1/20 0.38

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
SCHEMBL10109191 0.91 SLC18A3 (0.43) SLC18A3MAPTPSMB5
SCHEMBL13289031 0.91 SLC18A3 (0.44) NPC1RAB9AS1PR1S1PR5SLC18A3
SCHEMBL20800867 0.90 SLC18A3 (0.43) SLC18A3PSMB5
SCHEMBL20210323 0.88 SLC18A3 (0.46) SLC18A3HSP90AA1GAAMAPTKMT2A
SCHEMBL10109506 0.87 MAPT (0.46) NPC1RAB9ASTAT3S1PR1S1PR5
SCHEMBL23680203 0.86 NPC1 (0.49) NPC1RAB9ARAF1STAT3STAT1
SCHEMBL19090026 0.86 NPC1 (0.49) NPC1RAB9ARAF1STAT3STAT1
SCHEMBL10029826 0.86 NPC1 (0.49) NPC1RAB9ARAF1STAT3STAT1
SCHEMBL23680201 0.86 NPC1 (0.49) NPC1RAB9ARAF1STAT3STAT1
SCHEMBL10029847 0.86 NPC1 (0.49) NPC1RAB9ARAF1STAT3STAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11584753-B2 Bisbenzofuran-fused 2,8-diaminoindeno[1,2-b]fluorene derivatives and related compounds as materials for organic electroluminescent devices (OLED) MERCK PATENT GMBH (DE) 2023-02-21 US disclosed
EP-3544984-B1 BISBENZOFURAN-FUSED 2,8-DIAMINOINDENO[1,2-B]FLUORENE DERIVATIVES AND RELATED COMPOUNDS AS MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES (OLED) MERCK PATENT GMBH (DE) 2020-12-23 EP disclosed
US-20190315764-A1 BISBENZOFURAN-FUSED 2,8-DIAMINOINDENO[1,2-B]FLUORENE DERIVATIVES AND RELATED COMPOUNDS AS MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES (OLED) MERCK PATENT GMBH (DE) 2019-10-17 US disclosed
WO-2018095888-A1 BISBENZOFURAN-FUSED 2,8-DIAMINOINDENO[1,2-B]FLUORENE DERIVATIVES AND RELATED COMPOUNDS AS MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES (OLED) MERCK PATENT GMBH (DE) 2018-05-31 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 (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-20190315764-A1 BISBENZOFURAN-FUSED 2,8-DIAMINOINDENO[1,2-B]FLUORENE DERIVATIVES AND RELATED COMPOUNDS AS MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES (OLED) OCIAD1, OCIAD2, AOC1 NPC1 1847/4885RAB9A 1290/4885RAF1 2310/4885
US-11584753-B2 Bisbenzofuran-fused 2,8-diaminoindeno[1,2-b]fluorene derivatives and related compounds as materials for organic electroluminescent devices (OLED) OCIAD1, OCIAD2, AOC1 NPC1 1847/4885RAB9A 1290/4885RAF1 2310/4885

“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.