SCHEMBL18563334

SCHEMBL18563334

Brc1ccc(-c2ccc3c(c2)Oc2ccccc2O3)c2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ AHR P35869 7/20 0.48
▸ CYP1B1 Q16678 1/20 0.34
▸ PTPRC P08575 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ EGFR P00533 1/20 0.31
▸ PDCD1 Q15116 1/20 0.31
▸ CD274 Q9NZQ7 1/20 0.31
▸ RXFP1 Q9HBX9 1/20 0.30
▸ PDE10A Q9Y233 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
SCHEMBL19058265 0.80 AHR (0.53) AHRPDCD1CD274
SCHEMBL25818508 0.77 AHR (0.50) AHRCYP1A2
SCHEMBL19766202 0.77 AHR (0.38) AHREGFR
SCHEMBL19766182 0.77 ALOX5 (0.40) AHR
SCHEMBL9971888 0.77 ALDH1A1 (0.44) CYP1B1CYP1A2RXFP1
SCHEMBL12791290 0.76 CYP1A2 (0.37) CYP1B1PTPRCCYP1A2RXFP1
SCHEMBL19766193 0.76 ALOX5 (0.39) AHR
SCHEMBL27277879 0.75 AHR (0.41) AHRPDCD1CD274
SCHEMBL4570805 0.75 MAPT (0.47) AHRCYP1A2
SCHEMBL19766218 0.74 AHR (0.41) AHRCYP1B1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170062720-A1 CONDENSED-CYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2017-03-02 — — US disclosed
US-20170062720-A1 CONDENSED-CYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2017-03-02 — — 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-20170062720-A1 CONDENSED-CYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME LRRK2, SLC18A1, CCNT1 AHR 2829/4885CYP1B1 447/4885PTPRC 4376/4885

“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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