SCHEMBL23225127

SCHEMBL23225127

c1cc(-c2ccc3ccccc3c2)cc(N(c2ccc(-c3ccc4c(c3)oc3ccccc34)cc2)c2cccc3ccccc23)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HCRTR1 O43613 1/20 0.40
▸ CYP1A1 P04798 2/20 0.35
▸ CYP1B1 Q16678 2/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ DUSP3 P51452 1/20 0.34
▸ MMP12 P39900 1/20 0.34
▸ MMP13 P45452 1/20 0.34
▸ AHR P35869 2/20 0.34
▸ HSD17B1 P14061 1/20 0.34
▸ HSD17B2 P37059 1/20 0.34
▸ PLA2G2A P14555 2/20 0.34
▸ PLA2G4A P47712 2/20 0.34
▸ MEN1 O00255 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ CASP3 P42574 1/20 0.33
▸ SENP7 Q9BQF6 1/20 0.33

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
SCHEMBL24918803 0.96 HCRTR1 (0.42) HCRTR1CYP1A1CYP1B1CYP1A2DUSP3
SCHEMBL24472367 0.95 HCRTR1 (0.40) HCRTR1CYP1A1CYP1B1CYP1A2DUSP3
SCHEMBL23225327 0.95 HCRTR1 (0.39) HCRTR1CYP1A1CYP1B1CYP1A2DUSP3
SCHEMBL27274191 0.94 HCRTR1 (0.38) HCRTR1CYP1A1CYP1B1CYP1A2DUSP3
SCHEMBL18326954 0.94 CYP1A1 (0.37) HCRTR1CYP1A1CYP1B1DUSP3MMP12
SCHEMBL27274189 0.94 CYP1A1 (0.37) HCRTR1CYP1A1CYP1B1DUSP3MMP12
SCHEMBL23225329 0.93 CASP3 (0.37) HCRTR1CYP1A1CYP1B1CYP1A2HSD17B1
SCHEMBL22523664 0.92 HCRTR1 (0.39) HCRTR1CYP1A1CYP1B1CYP1A2DUSP3
SCHEMBL22523360 0.92 HCRTR1 (0.39) HCRTR1CYP1A1CYP1B1CYP1A2DUSP3
SCHEMBL24471663 0.92 HCRTR1 (0.38) HCRTR1CYP1A1CYP1B1CYP1A2DUSP3

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-20230024273-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO.,LTD. (JP) 2023-01-26 — — US disclosed
WO-2021070965-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE 出光興産株式会社 2021-04-15 — — 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 (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-20230024273-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE LEF1, L1CAM, PIEZO1 HCRTR1 4011/4885CYP1A1 712/4885CYP1B1 411/4885

“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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