SCHEMBL12698310

SCHEMBL12698310

Cc1cc(CBr)cc(-c2cccc3c4ccccc4c4cccc(-c5ccccc5)c4c23)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDCD1 Q15116 1/20 0.37
▸ CD274 Q9NZQ7 1/20 0.37
▸ IDH1 O75874 2/20 0.34
▸ HTR7 P34969 4/20 0.33
▸ BRD9 Q9H8M2 1/20 0.33
▸ BRD7 Q9NPI1 1/20 0.33
▸ CRHR1 P34998 1/20 0.33
▸ CA12 O43570 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA7 P43166 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ CA14 Q9ULX7 1/20 0.33
▸ METAP2 P50579 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ PSMB5 P28074 1/20 0.33
▸ ALDH1A1 P00352 3/20 0.32
▸ TRPA1 O75762 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ MEN1 O00255 1/20 0.32

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
SCHEMBL12698309 0.94 BRD9 (0.38) IDH1HTR7BRD9BRD7ALDH1A1
SCHEMBL8923313 0.81 FNTA (0.40) IDH1BRD9BRD7CA12CA1
SCHEMBL16675061 0.73 ALDH1A1 (0.45) PDCD1CD274HTR7METAP2ALDH1A1
SCHEMBL5887704 0.70 ALDH1A1 (0.46) PDCD1CD274METAP2KDM4EALDH1A1
Benzene SCHEMBL29177892 0.70 ALDH1A1 (0.46) PDCD1CD274METAP2KDM4EALDH1A1
SCHEMBL1373278 0.69 ALDH1A1 (0.52) PDCD1CD274HTR7ALDH1A1TRPA1
Biphenyl SCHEMBL29177817 0.68 ALDH1A1 (0.45) PDCD1CD274METAP2KDM4EALDH1A1
SCHEMBL27414909 0.68 CA12 (0.46) PDCD1CD274BRD9BRD7CA12
SCHEMBL26186568 0.67 BRD9 (0.49) BRD9BRD7METAP2PSMB5ALDH1A1
SCHEMBL25421508 0.66 ALDH1A1 (0.43) PDCD1CD274CA12CA1CA2

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-9985226-B2 Triphenylene-based materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2018-05-29 — — US disclosed
US-20130200359-A1 TRIPHENYLENE-BASED MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2013-08-08 — — US disclosed
US-20130200359-A1 TRIPHENYLENE-BASED MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2013-08-08 — — US disclosed
WO-2012048781-A1 TRIPHENYLENE-BASED MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2012-04-19 — — 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-20130200359-A1 TRIPHENYLENE-BASED MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES TERT, TRMT1, TRMT1L PDCD1 1841/4885CD274 1056/4885IDH1 1233/4885

“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.

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