SCHEMBL20313428

SCHEMBL20313428

c1ccc(N(c2ccccc2)c2ccc3cc(-c4ccc5ccccc5c4)ccc3c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.48
ESR2 Q92731 3/20 0.48
ACMSD Q8TDX5 1/20 0.47
ALOX5 P09917 1/20 0.47
HSD17B1 P14061 1/20 0.46
HSD17B2 P37059 1/20 0.46
GSTP1 P09211 1/20 0.44
ALDH1A1 P00352 4/20 0.43
CYP1A2 P05177 4/20 0.43
KDM4E B2RXH2 3/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
MAPT P10636 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CYP17A1 P05093 1/20 0.43
CYP19A1 P11511 1/20 0.43
CYP11B1 P15538 1/20 0.43

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
SCHEMBL14263596 0.98 ESR1 (0.52) ESR1ESR2ACMSDALOX5HSD17B1
SCHEMBL14263645 0.98 ESR1 (0.52) ESR1ESR2ACMSDALOX5HSD17B1
SCHEMBL9888966 0.98 ESR1 (0.52) ESR1ESR2ACMSDALOX5HSD17B1
SCHEMBL23095516 0.98 ESR1 (0.52) ESR1ESR2ACMSDALOX5HSD17B1
SCHEMBL14506145 0.98 ESR1 (0.52) ESR1ESR2ACMSDALOX5HSD17B1
SCHEMBL23765487 0.98 ESR1 (0.52) ESR1ESR2ACMSDALOX5HSD17B1
SCHEMBL10028980 0.98 ESR1 (0.52) ESR1ESR2ACMSDALOX5HSD17B1
SCHEMBL24153962 0.98 ESR1 (0.52) ESR1ESR2ACMSDALOX5HSD17B1
SCHEMBL18941678 0.98 ESR1 (0.52) ESR1ESR2ACMSDALOX5HSD17B1
SCHEMBL14263601 0.98 ESR1 (0.52) ESR1ESR2ACMSDALOX5HSD17B1

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 ESR1 177/4885ESR2 737/4885ACMSD 875/4885
US-20180182961-A1 Organic Compound, Light-Emitting Element, Light-Emitting Device, Electronic Device, Display Device, and Lighting Device TYR, TH, DDT ESR1 177/4885ESR2 737/4885ACMSD 875/4885
US-10916707-B2 Organic compound, light-emitting element, light-emitting device, electronic device, display device, and lighting device TYR, TH, DDT ESR1 177/4885ESR2 737/4885ACMSD 875/4885

“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.