SCHEMBL20313403

SCHEMBL20313403

c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4cc5ccccc5cc4-c4ccc5ccccc5c4)cc3)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 1/20 0.47
PTGS2 P35354 1/20 0.44
ESR1 P03372 3/20 0.43
ESR2 Q92731 3/20 0.43
ADORA2A P29274 2/20 0.42
ADORA1 P30542 2/20 0.42
HSD17B1 P14061 1/20 0.41
HSD17B2 P37059 1/20 0.41
HDAC4 P56524 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
CYP1A1 P04798 1/20 0.40
CYP1B1 Q16678 1/20 0.40
GPR84 Q9NQS5 1/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
CYP1A2 P05177 2/20 0.39
MEN1 O00255 1/20 0.39
TP53 P04637 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL20313384 0.98 GSTP1 (0.48) GSTP1PTGS2ESR1ESR2ADORA2A
SCHEMBL20313415 0.96 GSTP1 (0.50) GSTP1PTGS2ESR1ESR2ADORA2A
SCHEMBL21203377 0.93 HSD17B1 (0.46) GSTP1PTGS2ESR1ESR2ADORA2A
SCHEMBL21203468 0.93 PTGS2 (0.49) PTGS2ESR1ESR2GPR84KDM4E
SCHEMBL22452118 0.93 PTGS2 (0.49) PTGS2ESR1ESR2GPR84KDM4E
SCHEMBL10033648 0.93 PTGS2 (0.49) PTGS2ESR1ESR2GPR84KDM4E
SCHEMBL24307287 0.92 ESR1 (0.43) GSTP1PTGS2ESR1ESR2ADORA2A
SCHEMBL25000238 0.92 ESR1 (0.43) GSTP1PTGS2ESR1ESR2ADORA2A
SCHEMBL24307184 0.92 ESR1 (0.43) GSTP1PTGS2ESR1ESR2ADORA2A
SCHEMBL20620650 0.92 GSTP1 (0.43) GSTP1PTGS2ESR1ESR2ADORA2A

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-20210159410-A1 Organic Compound, Light-Emitting Element, Light-Emitting Device, Electronic Device, Display Device, and Lighting Device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2021-05-27 US disclosed
US-10916707-B2 Organic compound, light-emitting element, light-emitting device, electronic device, display device, and lighting device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2021-02-09 US disclosed
US-20180182961-A1 Organic Compound, Light-Emitting Element, Light-Emitting Device, Electronic Device, Display Device, and Lighting Device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2018-06-28 US disclosed
US-20180182961-A1 Organic Compound, Light-Emitting Element, Light-Emitting Device, Electronic Device, Display Device, and Lighting Device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2018-06-28 US 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 (3 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-20210159410-A1 Organic Compound, Light-Emitting Element, Light-Emitting Device, Electronic Device, Display Device, and Lighting Device TYR, TH, DDT GSTP1 1426/4885PTGS2 3518/4885ESR1 177/4885
US-20180182961-A1 Organic Compound, Light-Emitting Element, Light-Emitting Device, Electronic Device, Display Device, and Lighting Device TYR, TH, DDT GSTP1 1426/4885PTGS2 3518/4885ESR1 177/4885
US-10916707-B2 Organic compound, light-emitting element, light-emitting device, electronic device, display device, and lighting device TYR, TH, DDT GSTP1 1426/4885PTGS2 3518/4885ESR1 177/4885

“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.