SCHEMBL2594422

SCHEMBL2594422

c1ccc(-c2ccccc2C2c3ccccc3-c3ccccc32)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
HSD17B10 Q99714 2/20 0.50
HTR2A P28223 1/20 0.46
DPP4 P27487 1/20 0.44
MAPK1 P28482 2/20 0.44
HPGD P15428 1/20 0.44
BCL2L1 Q07817 1/20 0.44
CYP2A6 P11509 1/20 0.44
BRD4 O60885 1/20 0.42
BCAT2 O15382 1/20 0.41
GPR3 P46089 1/20 0.41
TP53 P04637 1/20 0.41
RAB9A P51151 1/20 0.41
NCOA1 Q15788 1/20 0.41
NCOA3 Q9Y6Q9 1/20 0.41
BACE1 P56817 1/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNA4 P43681 1/20 0.40
ADRA2A P08913 3/20 0.40
ADRA2B P18089 2/20 0.40

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
SCHEMBL28460847 0.92 ALDH1A1 (0.48) ALDH1A1HSD17B10HTR2ADPP4MAPK1
SCHEMBL28757847 0.89 BRD4 (0.44) ALDH1A1HSD17B10HTR2ADPP4BRD4
SCHEMBL28945993 0.83 MAP4K4 (0.41) ALDH1A1HSD17B10HTR2ADPP4MAPK1
SCHEMBL27372447 0.78 KDM1A (0.47) ALDH1A1HSD17B10HTR2AMAPK1HPGD
SCHEMBL16544752 0.78 ALDH1A1 (0.50) ALDH1A1HSD17B10HTR2ADPP4MAPK1
SCHEMBL28773429 0.77 KDM1A (0.50) HTR2AGPR3
Biphenyl SCHEMBL21382703 0.77 ALDH1A1 (0.45) ALDH1A1HSD17B10HTR2ADPP4MAPK1
SCHEMBL150218 0.77 CHRNB2 (0.44) ALDH1A1HSD17B10HTR2ADPP4MAPK1
SCHEMBL25171318 0.76 LMNA (0.54) ALDH1A1HSD17B10HTR2AMAPK1GPR3
SCHEMBL70993 0.76 LMNA (0.54) ALDH1A1HSD17B10HTR2AMAPK1GPR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3383861-A2 ARYLATION METHOD Umicore AG & Co. KG (DE) 2018-10-10 EP claimed
EP-3383861-A2 ARYLATION METHOD Umicore AG & Co. KG (DE) 2018-10-10 EP disclosed
US-20180212149-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2018-07-26 US disclosed
US-20180019405-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2018-01-18 US disclosed
US-9812648-B2 Spirobifluorene compounds for organic electroluminescent devices MERCK PATENT GMBH (DE) 2017-11-07 US disclosed
EP-1690847-B1 pi-conjugated compound having cardo structure, process for the preparation thereof and use thereof TOSOH CORP (JP) 2016-06-22 EP disclosed
US-9269911-B2 Organic light-emitting device CANON KABUSHIKI KAISHA (JP) 2016-02-23 US disclosed
US-20150065730-A1 SPIROBIFLUORENE COMPOUNDS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2015-03-05 US disclosed
EP-2564441-A1 ORGANIC LIGHT-EMITTING DEVICE Canon Kabushiki Kaisha (JP) 2013-03-06 EP disclosed
US-20130037791-A1 ORGANIC LIGHT-EMITTING DEVICE CANON KABUSHIKI KAISHA (JP) 2013-02-14 US disclosed
WO-2011136156-A1 ORGANIC LIGHT-EMITTING DEVICE CANON KABUSHIKI KAISHA (JP) 2011-11-03 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-20180019405-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES L1CAM, EFNA1, EPCAM ALDH1A1 33/4885HSD17B10 1957/4885HTR2A 4494/4885
US-20180212149-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES L1CAM, EFNA1, EPCAM ALDH1A1 33/4885HSD17B10 1957/4885HTR2A 4494/4885

“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.