SCHEMBL22454653

SCHEMBL22454653

c1ccc(N(c2ccc3c(c2)oc2c4ccccc4sc32)c2ccc3c(c2)sc2ccccc23)cc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ESR2 Q92731 2/20 0.46
▸ ESR1 P03372 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ HPGD P15428 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ GPR3 P46089 1/20 0.35
▸ TNKS O95271 1/20 0.31
▸ TNKS2 Q9H2K2 1/20 0.31
▸ L3MBTL1 Q9Y468 2/20 0.30
▸ PRKDC P78527 1/20 0.30
▸ ATM Q13315 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30

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
SCHEMBL22454386 0.95 ESR2 (0.43) ESR2ESR1ALDH1A1RAB9AMAPT
SCHEMBL24791109 0.94 ESR2 (0.44) ESR2ESR1ALDH1A1RAB9AMAPT
SCHEMBL17875609 0.94 ESR2 (0.42) ESR2ESR1ALDH1A1MAPTHPGD
SCHEMBL24790832 0.91 ESR2 (0.41) ESR2ESR1
SCHEMBL23516412 0.91 ESR2 (0.43) ESR2ESR1ALDH1A1RAB9AMAPT
SCHEMBL22454652 0.89 ESR2 (0.44) ESR2ESR1ALDH1A1RAB9AMAPT
SCHEMBL23516209 0.89 ESR2 (0.39) ESR2ESR1
SCHEMBL24000316 0.88 ALDH1A1 (0.40) ESR2ESR1ALDH1A1RAB9AMAPT
SCHEMBL22454405 0.88 ESR2 (0.43) ESR2ESR1ALDH1A1RAB9AMAPT
SCHEMBL24792897 0.88 ESR2 (0.39) ESR2ESR1ALDH1A1RAB9AMAPT

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 252/4885ALDH1A1 188/4885
US-20200303653-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND MONOAMINE COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE COMT, MAOA, MAOB ESR2 656/4885ESR1 252/4885ALDH1A1 188/4885

“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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