SCHEMBL21756062

SCHEMBL21756062

Clc1ccc2c(c1)oc1c(-c3ccc4c5ccccc5c5ccccc5c4c3)cccc12

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ AHR P35869 6/20 0.54
▸ ALOX5 P09917 2/20 0.54
▸ PRKDC P78527 2/20 0.45
▸ GGPS1 O95749 1/20 0.40
▸ CA1 P00915 2/20 0.39
▸ CA2 P00918 2/20 0.39
▸ CDC25A P30304 1/20 0.38
▸ CDC25C P30307 1/20 0.38
▸ PTGES2 Q9H7Z7 1/20 0.37
▸ CA12 O43570 1/20 0.37
▸ CA9 Q16790 1/20 0.37
▸ DYRK1A Q13627 1/20 0.37
▸ TNKS O95271 1/20 0.36
▸ HTR1A P08908 1/20 0.36
▸ HTR7 P34969 1/20 0.36
▸ HTR6 P50406 1/20 0.36

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
SCHEMBL24217341 0.90 AHR (0.62) AHRALOX5PRKDCGGPS1PTGES2
SCHEMBL24097372 0.90 AHR (0.66) AHRALOX5PRKDCGGPS1CA1
SCHEMBL22129981 0.90 AHR (0.66) AHRALOX5PRKDCGGPS1CA1
SCHEMBL25073586 0.88 AHR (0.54) AHRALOX5PRKDCGGPS1CA1
SCHEMBL30203651 0.88 AHR (0.57) AHRALOX5PRKDCGGPS1CA1
SCHEMBL22763942 0.88 AHR (0.57) AHRALOX5PRKDCGGPS1CA1
SCHEMBL12175683 0.86 ALOX5 (0.69) AHRALOX5PRKDCGGPS1PTGES2
SCHEMBL14924577 0.86 ALOX5 (0.69) AHRALOX5PRKDCGGPS1PTGES2
SCHEMBL16302998 0.86 ALOX5 (0.69) AHRALOX5PRKDCGGPS1PTGES2
SCHEMBL30022593 0.86 ALOX5 (0.69) AHRALOX5PRKDCGGPS1PTGES2

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-20220389018-A1 ORGANIC LIGHT EMITTING DEVICE LG CHEM, LTD. (KR) 2022-12-08 — — US disclosed
US-20210280800-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME LG CHEM, LTD. (KR) 2021-09-09 — — US disclosed
WO-2020040571-A1 NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING SAME 주식회사 엘지화학 2020-02-27 — — WO 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-20220389018-A1 ORGANIC LIGHT EMITTING DEVICE CYP1A1, ARNT, AOC3 AHR 4/4885ALOX5 1861/4885PRKDC 4753/4885
US-20210280800-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME CRY1, AOX1, CYBA AHR 673/4885ALOX5 497/4885PRKDC 4094/4885

“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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