SCHEMBL12698472

SCHEMBL12698472

c1ccc2c(c1)sc1ccc(-c3cccc4c5ccccc5c5cccc(-c6ccc7sc8ccccc8c7c6)c5c34)cc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.49
GPR3 P46089 1/20 0.48
MAPT P10636 5/20 0.41
ALDH1A1 P00352 5/20 0.41
HPGD P15428 3/20 0.41
RAB9A P51151 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
L3MBTL1 Q9Y468 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
POLB P06746 1/20 0.39
CYP1A2 P05177 1/20 0.38
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
KDM4E B2RXH2 2/20 0.37
PTPN7 P35236 1/20 0.36
DUSP3 P51452 1/20 0.36
PTPN12 Q05209 1/20 0.36
PTPN22 Q9Y2R2 1/20 0.36
F9 P00740 1/20 0.36
PIM3 Q86V86 1/20 0.35

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
SCHEMBL15154088 0.97 ALOX5 (0.49) ALOX5GPR3MAPTALDH1A1HPGD
SCHEMBL17229084 0.92 ALOX5 (0.46) ALOX5GPR3MAPTALDH1A1HPGD
SCHEMBL17231542 0.91 ALOX5 (0.44) ALOX5GPR3MAPTALDH1A1HPGD
SCHEMBL21036068 0.90 ALOX5 (0.47) ALOX5GPR3MAPTALDH1A1HPGD
SCHEMBL17229080 0.90 GPR3 (0.45) ALOX5GPR3MAPTALDH1A1HPGD
SCHEMBL12698463 0.90 ALOX5 (0.49) ALOX5GPR3MAPTALDH1A1HPGD
SCHEMBL17231579 0.89 GPR3 (0.44) ALOX5GPR3MAPTALDH1A1HPGD
SCHEMBL21283018 0.87 GPR3 (0.58) ALOX5GPR3MAPTALDH1A1HPGD
SCHEMBL13019759 0.86 GPR3 (0.48) ALOX5GPR3MAPTALDH1A1HPGD
SCHEMBL16904388 0.86 GPR3 (0.52) ALOX5GPR3MAPTALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10971689-B2 Triphenylene-based materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2021-04-06 US disclosed
US-9985226-B2 Triphenylene-based materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2018-05-29 US disclosed
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 (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-20130200359-A1 TRIPHENYLENE-BASED MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES TERT, TRMT1, TRMT1L ALOX5 2652/4885GPR3 4567/4885MAPT 1593/4885
US-10971689-B2 Triphenylene-based materials for organic electroluminescent devices TERT, PIEZO1, EFNA1 ALOX5 2776/4885GPR3 4584/4885MAPT 1826/4885

“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.