SCHEMBL22454559

SCHEMBL22454559

c1ccc(N(c2ccc(-c3ccc4c(c3)sc3c5ccccc5oc43)cc2)c2ccc3sc4ccccc4c3c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ESR2 Q92731 2/20 0.38
▸ ESR1 P03372 1/20 0.37
▸ LIMK1 P53667 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ SMN1; SMN2 Q16637 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
SCHEMBL22454417 0.97 ESR2 (0.39) ESR2ESR1LIMK1ALDH1A1MAPT
SCHEMBL22454418 0.96 ESR2 (0.37) ESR2ESR1LIMK1ALDH1A1MAPT
SCHEMBL22454547 0.95 ESR2 (0.39) ESR2ESR1LIMK1ALDH1A1MAPT
SCHEMBL22454416 0.94 ESR2 (0.42) ESR2ESR1LIMK1ALDH1A1MAPT
SCHEMBL22454405 0.90 ESR2 (0.43) ESR2ESR1LIMK1ALDH1A1MAPT
SCHEMBL22454555 0.90 ESR2 (0.43) ESR2ESR1LIMK1ALDH1A1MAPT
SCHEMBL22454386 0.90 ESR2 (0.43) ESR2ESR1ALDH1A1MAPTHPGD
SCHEMBL22454554 0.89 ESR2 (0.41) ESR2ESR1LIMK1
SCHEMBL24791109 0.87 ESR2 (0.44) ESR2ESR1LIMK1ALDH1A1MAPT
SCHEMBL22454571 0.87 ESR2 (0.34) ESR2ESR1ALDH1A1MAPTHPGD

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 656/4885ESR1 252/4885LIMK1 516/4885
US-20200303653-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND MONOAMINE COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE COMT, MAOA, MAOB ESR2 656/4885ESR1 252/4885LIMK1 516/4885

“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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