SCHEMBL15945895

SCHEMBL15945895

c1ccc2cc(-c3ccc4cc(-c5ccc6sc7ccccc7c6c5)ccc4c3)ccc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.52
ESR1 P03372 1/20 0.46
ESR2 Q92731 1/20 0.46
ALOX5 P09917 1/20 0.44
ALDH1A1 P00352 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
MAPT P10636 3/20 0.43
RAB9A P51151 3/20 0.43
HPGD P15428 2/20 0.43
HSD17B1 P14061 1/20 0.43
HSD17B2 P37059 1/20 0.43
GSTP1 P09211 1/20 0.41
PTPN7 P35236 1/20 0.41
DUSP3 P51452 1/20 0.41
PTPN12 Q05209 1/20 0.41
PTPN22 Q9Y2R2 1/20 0.41
CYP17A1 P05093 1/20 0.41
CYP19A1 P11511 1/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41

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
SCHEMBL18086205 1.00 GPR3 (0.52) GPR3ESR1ESR2ALOX5ALDH1A1
SCHEMBL15893265 0.98 GPR3 (0.50) GPR3ESR1ESR2ALOX5ALDH1A1
SCHEMBL15945896 0.95 HSD17B1 (0.47) GPR3ESR1ESR2ALOX5ALDH1A1
SCHEMBL14410441 0.94 ESR1 (0.50) GPR3ESR1ESR2ALOX5ALDH1A1
SCHEMBL17343206 0.93 GPR3 (0.45) GPR3ESR1ESR2ALOX5ALDH1A1
SCHEMBL125886 0.91 GPR3 (0.47) GPR3ESR1ESR2ALOX5ALDH1A1
SCHEMBL24362868 0.91 ALDH1A1 (0.44) GPR3ESR1ESR2ALOX5ALDH1A1
SCHEMBL125820 0.91 GPR3 (0.42) GPR3ESR1ESR2ALOX5ALDH1A1
SCHEMBL12578013 0.91 GPR3 (0.42) GPR3ESR1ESR2ALOX5ALDH1A1
SCHEMBL124859 0.91 GPR3 (0.42) GPR3ESR1ESR2ALOX5ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10038152-B2 Organic light-emitting element CANON KABUSHIKI KAISHA (JP) 2018-07-31 US disclosed
US-10038152-B2 Organic light-emitting element CANON KABUSHIKI KAISHA (JP) 2018-07-31 US disclosed
US-9899613-B2 Organic light-emitting element CANON KABUSHIKI KAISHA (JP) 2018-02-20 US disclosed
US-9899613-B2 Organic light-emitting element CANON KABUSHIKI KAISHA (JP) 2018-02-20 US disclosed
EP-2939289-B1 ORGANIC LIGHT-EMITTING ELEMENT CANON KK (JP) 2017-07-26 EP disclosed
US-20150372244-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG ELECTRONICS CO., LTD. (KR) 2015-12-24 US disclosed
US-20150372244-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG ELECTRONICS CO., LTD. (KR) 2015-12-24 US disclosed
US-20150357586-A1 ORGANIC LIGHT-EMITTING ELEMENT SAMSUNG ELECTRONICS CO., LTD. (KR) 2015-12-10 US disclosed
US-20150357586-A1 ORGANIC LIGHT-EMITTING ELEMENT SAMSUNG ELECTRONICS CO., LTD. (KR) 2015-12-10 US disclosed
US-20150295188-A1 ORGANIC LIGHT-EMITTING ELEMENT SAMSUNG ELECTRONICS CO., LTD. (KR) 2015-10-15 US disclosed
US-20150295188-A1 ORGANIC LIGHT-EMITTING ELEMENT SAMSUNG ELECTRONICS CO., LTD. (KR) 2015-10-15 US disclosed
WO-2014123238-A1 ORGANIC LIGHT-EMITTING DEVICE CANON KABUSHIKI KAISHA (JP) 2014-08-14 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-10038152-B2 Organic light-emitting element NFE2L2, EML4, LEF1 GPR3 3110/4885ESR1 12/4885ESR2 68/4885

“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.