SCHEMBL22454571

SCHEMBL22454571

c1ccc(N(c2ccc(-c3ccc4c(c3)oc3c5ccccc5oc43)cc2)c2ccc3sc4ccccc4c3c2)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR2 Q92731 3/20 0.34
▸ MMP12 P39900 1/20 0.33
▸ MMP13 P45452 1/20 0.33
▸ GPR3 P46089 1/20 0.33
▸ APP P05067 1/20 0.32
▸ MAPT P10636 2/20 0.32
▸ HPGD P15428 2/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ PLA2G2A P14555 2/20 0.32
▸ PLA2G4A P47712 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ ALPI P09923 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ CASP3 P42574 1/20 0.32
▸ RECQL P46063 1/20 0.32

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
SCHEMBL22454552 0.96 ESR2 (0.34) ESR2MMP12MMP13GPR3APP
SCHEMBL22454553 0.95 ESR2 (0.33) ESR2GPR3APPMAPTHPGD
SCHEMBL22454408 0.94 ESR2 (0.34) ESR2GPR3MAPTHPGDRAB9A
SCHEMBL24000300 0.92 ESR2 (0.34) ESR2MMP12MMP13GPR3APP
SCHEMBL27381359 0.90 MMP12 (0.34) MMP12MMP13GPR3APPMAPT
SCHEMBL22454416 0.89 ESR2 (0.42) ESR2GPR3MAPTHPGDRAB9A
SCHEMBL18802534 0.88 AHR (0.36) MMP12MMP13GPR3MAPTHPGD
SCHEMBL15614308 0.88 AHR (0.38) MMP12MMP13APPMAPTHPGD
SCHEMBL15614310 0.87 MMP12 (0.39) MMP12MMP13MAPTHPGDRAB9A
SCHEMBL18842999 0.87 AHR (0.37) ESR2MMP12MMP13GPR3MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230209999-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND MONOAMINE COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2023-06-29 — — US disclosed
US-20230209999-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND MONOAMINE COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2023-06-29 — — US disclosed
US-20200303653-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND MONOAMINE COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2020-09-24 — — 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 (2 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-20230209999-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND MONOAMINE COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE COMT, MAOA, MAOB ESR2 656/4885MMP12 4112/4885MMP13 3717/4885
US-20200303653-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND MONOAMINE COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE COMT, MAOA, MAOB ESR2 656/4885MMP12 4112/4885MMP13 3717/4885

“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.

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