SCHEMBL22739477

SCHEMBL22739477

c1ccc(N(c2ccc3cc4c(cc3c2)oc2cc3oc5cc6cc(N(c7ccccc7)c7cccc8ccc9ccccc9c78)ccc6cc5c3cc24)c2cccc3ccc4ccccc4c23)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AHR P35869 2/20 0.33
▸ CYP1A1 P04798 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ FYN P06241 1/20 0.33
▸ MAPK3 P27361 1/20 0.33
▸ PAX8 Q06710 1/20 0.33
▸ ABCG2 Q9UNQ0 1/20 0.33
▸ PRKDC P78527 3/20 0.32
▸ TDP1 Q9NUW8 2/20 0.32
▸ L3MBTL1 Q9Y468 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ GLA P06280 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ SIGMAR1 Q99720 2/20 0.31
▸ XRCC6 P12956 1/20 0.30
▸ XRCC5 P13010 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
SCHEMBL22743218 0.96 AHR (0.33) AHRCYP1A1CYP1A2FYNMAPK3
SCHEMBL22742580 0.94 PRKDC (0.33) AHRCYP1A1CYP1A2FYNMAPK3
SCHEMBL22740164 0.93 AHR (0.35) AHRCYP1A1CYP1A2FYNMAPK3
SCHEMBL22740341 0.91 SIGMAR1 (0.35) PRKDCTDP1L3MBTL1KDM4EGLA
SCHEMBL22741421 0.91 CYP1A1 (0.32) AHRCYP1A1CYP1A2FYNMAPK3
SCHEMBL22740281 0.90 AHR (0.33) AHRCYP1A1CYP1A2FYNMAPK3
SCHEMBL22741115 0.89 MAOA (0.34) AHRTDP1L3MBTL1KDM4EMAPT
SCHEMBL22741448 0.89 CYP1A1 (0.32) AHRCYP1A1CYP1A2FYNMAPK3
SCHEMBL23371104 0.89 SIGMAR1 (0.36) AHRCYP1A1CYP1A2FYNMAPK3
SCHEMBL26061528 0.89 HPGD (0.34) AHRCYP1A2FYNTDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200377513-A1 NOVEL COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO.,LTD. (JP) 2020-12-03 — — 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-20200377513-A1 NOVEL COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE PIEZO1, TMEM109, LEF1 AHR 2654/4885CYP1A1 846/4885CYP1A2 1206/4885

“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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