SCHEMBL19830540

SCHEMBL19830540

Brc1ccc2[nH]c3cc4oc5ccccc5c4cc3c2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.54
▸ AR P10275 1/20 0.44
▸ AHR P35869 3/20 0.44
▸ CHUK O15111 1/20 0.42
▸ GABRP O00591 1/20 0.41
▸ GABRD O14764 1/20 0.41
▸ GABRA1 P14867 1/20 0.41
▸ GABRB1 P18505 1/20 0.41
▸ GABRG2 P18507 1/20 0.41
▸ GABRB3 P28472 1/20 0.41
▸ GABRA5 P31644 1/20 0.41
▸ GABRA3 P34903 1/20 0.41
▸ GABRA2 P47869 1/20 0.41
▸ GABRB2 P47870 1/20 0.41
▸ GABRA4 P48169 1/20 0.41
▸ GABRE P78334 1/20 0.41
▸ GABRA6 Q16445 1/20 0.41
▸ GABRG1 Q8N1C3 1/20 0.41
▸ GABRG3 Q99928 1/20 0.41
▸ GABRQ Q9UN88 1/20 0.41

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
SCHEMBL8818417 0.94 CYP1A2 (0.47) CYP1A2ARAHRCHUKGABRP
SCHEMBL14822627 0.85 CYP1A2 (0.60) CYP1A2AHRMAPTKDM4EMEN1
SCHEMBL29986934 0.85 CYP1A2 (0.60) CYP1A2AHRMAPTKDM4EMEN1
SCHEMBL29819907 0.85 CYP1A2 (0.60) CYP1A2AHRMAPTKDM4EMEN1
SCHEMBL18647105 0.85 CYP1A2 (0.47) CYP1A2AHRMAPTKDM4EMEN1
SCHEMBL16999816 0.84 CYP1A2 (0.59) CYP1A2AHRMAPTKDM4EMEN1
SCHEMBL16925949 0.83 CYP1A2 (0.43) CYP1A2ARAHRGABRPGABRD
SCHEMBL30038021 0.82 MAPT (0.53) CYP1A2AHRGABRPGABRDGABRA1
SCHEMBL16990760 0.82 MAPT (0.53) CYP1A2AHRGABRPGABRDGABRA1
SCHEMBL18020098 0.82 CYP1A2 (0.61) CYP1A2AHRGABRPGABRDGABRA1

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-20180029983-A1 COMPOUND, ORGANIC ELECTROLUMINESCENT ELEMENT MATERIAL, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2018-02-01 — — 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-20180029983-A1 COMPOUND, ORGANIC ELECTROLUMINESCENT ELEMENT MATERIAL, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE RER1, RCOR1, LEF1 CYP1A2 1165/4885AR 700/4885AHR 1135/4885

“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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