SCHEMBL12698463

SCHEMBL12698463

c1ccc2c(c1)sc1cc(-c3cccc4c5ccccc5c5cccc(-c6ccc7c(c6)sc6ccccc67)c5c34)ccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.49
ALDH1A1 P00352 4/20 0.49
MAPT P10636 3/20 0.49
HPGD P15428 3/20 0.49
RAB9A P51151 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
GPR3 P46089 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.39
POLB P06746 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
F9 P00740 1/20 0.39
LIMK1 P53667 4/20 0.37
PRKDC P78527 1/20 0.36
TSHR P16473 2/20 0.35
MAPK1 P28482 2/20 0.35
HSD17B10 Q99714 2/20 0.35
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 0.35
ALOX15 P16050 1/20 0.35
NFKB1 P19838 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
SCHEMBL22140715 0.92 ALOX5 (0.46) ALOX5ALDH1A1MAPTHPGDRAB9A
SCHEMBL21035267 0.90 ALOX5 (0.47) ALOX5ALDH1A1MAPTHPGDRAB9A
SCHEMBL12698472 0.90 ALOX5 (0.49) ALOX5ALDH1A1MAPTHPGDRAB9A
SCHEMBL13506861 0.87 ALOX5 (0.43) ALOX5ALDH1A1MAPTHPGDRAB9A
SCHEMBL24171040 0.86 ALDH1A1 (0.49) ALOX5ALDH1A1MAPTHPGDRAB9A
SCHEMBL15154088 0.86 ALOX5 (0.49) ALOX5ALDH1A1MAPTHPGDRAB9A
SCHEMBL16904375 0.86 GPR3 (0.52) ALOX5ALDH1A1MAPTHPGDRAB9A
SCHEMBL21036040 0.85 ALDH1A1 (0.47) ALOX5ALDH1A1MAPTHPGDRAB9A
SCHEMBL21036036 0.85 F9 (0.43) ALOX5ALDH1A1MAPTHPGDRAB9A
SCHEMBL18892678 0.84 ALOX5 (0.40) ALOX5ALDH1A1MAPTHPGDRAB9A

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 2652/4885ALDH1A1 117/4885MAPT 1593/4885
US-10971689-B2 Triphenylene-based materials for organic electroluminescent devices TERT, PIEZO1, EFNA1 ALOX5 2776/4885ALDH1A1 147/4885MAPT 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.