SCHEMBL24326595

SCHEMBL24326595

c1ccc(-c2cccc(-c3cccc4cc5c(ccc6c5c5c7ccccc7ccc5n6-c5ccc(-c6c7ccccc7c(-c7ccccc7)c7ccccc67)cc5)cc34)c2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
PDE6D O43924 1/20 0.33
MCL1 Q07820 1/20 0.33
ACMSD Q8TDX5 1/20 0.33
SOS1 Q07889 1/20 0.33
ESR1 P03372 4/20 0.32
ESR2 Q92731 4/20 0.32
NTSR1 P30989 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
HSD17B1 P14061 1/20 0.32
CYP2B6 P20813 1/20 0.32
CYP2C19 P33261 1/20 0.32
HSD17B2 P37059 1/20 0.32
ALK Q9UM73 1/20 0.31

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
SCHEMBL24326596 0.94 SOS1 (0.34) MCL1ACMSDSOS1ESR1ESR2
SCHEMBL19296549 0.90 SOS1 (0.34) PDE6DMCL1ACMSDSOS1ESR1
SCHEMBL26088000 0.90 ALOX5 (0.38) CA12CA1CA2CA9PDE6D
SCHEMBL14650085 0.89 ESR1 (0.41) ESR1ESR2CYP1A2CYP3A4CYP2D6
SCHEMBL24326863 0.88 ESR1 (0.39) ESR1ESR2CYP1A2ALOX5KDM4E
SCHEMBL19296554 0.87 MCL1 (0.38) CA12CA1CA2CA9PDE6D
SCHEMBL24326558 0.87 ESR1 (0.40) SOS1ESR1ESR2CYP1A2ALOX5
SCHEMBL24326886 0.86 ESR1 (0.36) SOS1ESR1ESR2CYP1A2CYP3A4
SCHEMBL19296547 0.86 SOS1 (0.33) MCL1ACMSDSOS1ESR1ESR2
SCHEMBL24326560 0.86 KDM4E (0.38) CA12CA1CA2CA9PDE6D

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-20220123231-A1 Organic Compound, Light-Emitting Device, Light-Emitting Apparatus, Electronic Device, Display Device, and Lighting Device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2022-04-21 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-20220123231-A1 Organic Compound, Light-Emitting Device, Light-Emitting Apparatus, Electronic Device, Display Device, and Lighting Device SUN2, CRY2, NBAS CA12 2769/4885CA1 3945/4885CA2 3288/4885

“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.