SCHEMBL24580403

SCHEMBL24580403

c1ccc(N(c2ccc(C3CCCCC3)cc2)c2ccc(C3(c4ccc(N(c5ccc(C6CCCCC6)cc5)c5ccc(C6CCCCC6)cc5)cc4)CCCCC3)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.39
ESR2 Q92731 2/20 0.39
ALDH1A1 P00352 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
SLC18A3 Q16572 3/20 0.36
CYP3A4 P08684 2/20 0.36
TRPA1 O75762 1/20 0.35
KDM4E B2RXH2 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
NPY5R Q15761 1/20 0.33
PSMB5 P28074 1/20 0.33
OPRM1 P35372 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL24580731 1.00 ESR1 (0.39) ESR1ESR2ALDH1A1L3MBTL1SLC18A3
SCHEMBL27270403 0.97 ESR1 (0.39) ESR1ESR2ALDH1A1L3MBTL1SLC18A3
SCHEMBL27270854 0.97 ESR1 (0.39) ESR1ESR2ALDH1A1L3MBTL1SLC18A3
SCHEMBL27271116 0.97 ESR1 (0.39) ESR1ESR2ALDH1A1L3MBTL1SLC18A3
SCHEMBL24580730 0.96 CYP3A4 (0.39) ESR1ESR2ALDH1A1L3MBTL1SLC18A3
SCHEMBL24579714 0.96 CYP3A4 (0.39) ESR1ESR2ALDH1A1L3MBTL1SLC18A3
SCHEMBL24580733 0.96 CYP3A4 (0.39) ESR1ESR2ALDH1A1L3MBTL1SLC18A3
SCHEMBL24580732 0.96 CYP3A4 (0.39) ESR1ESR2ALDH1A1L3MBTL1SLC18A3
SCHEMBL24579724 0.96 CYP3A4 (0.39) ESR1ESR2ALDH1A1L3MBTL1SLC18A3
SCHEMBL24579728 0.96 CYP3A4 (0.39) ESR1ESR2ALDH1A1L3MBTL1SLC18A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220204438-A1 Organic Compound, Light-Emitting Device, Light-Emitting Apparatus, Electronic Equipment, Lighting Device, and Electronic Device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2022-06-30 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 (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-20220204438-A1 Organic Compound, Light-Emitting Device, Light-Emitting Apparatus, Electronic Equipment, Lighting Device, and Electronic Device SLCO4C1, SLCO2A1, SLCO2B1 ESR1 438/4885ESR2 1062/4885ALDH1A1 58/4885

“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.