SCHEMBL18564904

SCHEMBL18564904

CN(c1ccccc1)c1ccc(-c2ccc3c4c5ccccc5c5ccccc5c4n(-c4cccc(-c5ccccc5)c4)c3c2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 2/20 0.37
▸ CHKA P35790 3/20 0.33
▸ MAOB P27338 1/20 0.33
▸ ALDH1A1 P00352 3/20 0.32
▸ GAA P10253 2/20 0.32
▸ LMNA P02545 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ USP2 O75604 2/20 0.31
▸ CYP2C9 P11712 2/20 0.31
▸ HPGD P15428 2/20 0.31
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ HSD17B10 Q99714 2/20 0.31
▸ LIMK1 P53667 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ KHK P50053 1/20 0.31
▸ FAAH O00519 1/20 0.31
▸ HSP90AA1 P07900 1/20 0.31
▸ PKM P14618 1/20 0.31

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
SCHEMBL18564911 1.00 OPRD1 (0.37) OPRD1CHKAMAOBALDH1A1GAA
SCHEMBL18564896 0.95 OPRD1 (0.34) OPRD1CHKAALDH1A1MEN1KMT2A
SCHEMBL18564751 0.94 KDM4E (0.34) OPRD1CHKAMAOBALDH1A1LIMK1
SCHEMBL18564815 0.94 KDM4E (0.34) OPRD1CHKAMAOBALDH1A1LIMK1
SCHEMBL18564777 0.93 MAOB (0.34) OPRD1CHKAMAOBALDH1A1LIMK1
SCHEMBL18564870 0.93 MAOB (0.34) OPRD1CHKAMAOBALDH1A1LIMK1
SCHEMBL18564956 0.91 OPRD1 (0.35) OPRD1CHKAALDH1A1FAAHHSP90AA1
SCHEMBL18564944 0.91 OPRD1 (0.35) OPRD1CHKAALDH1A1FAAHHSP90AA1
SCHEMBL18589665 0.88 MAOB (0.35) OPRD1MAOBLIMK1
SCHEMBL18564945 0.88 OPRD1 (0.34) OPRD1CHKAALDH1A1MEN1KMT2A

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-10290815-B2 Composition, compound, material for organic electroluminescence element, ink composition, organic electroluminescence element, and electronic device IDEMITSU KOSAN CO., LTD. (JP) 2019-05-14 — — US disclosed
US-20170062733-A1 COMPOSITION, COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE ELEMENT, INK COMPOSITION, ORGANIC ELECTROLUMINESCENCE ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2017-03-02 — — US disclosed
US-20170062733-A1 COMPOSITION, COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE ELEMENT, INK COMPOSITION, ORGANIC ELECTROLUMINESCENCE ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 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 (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-10290815-B2 Composition, compound, material for organic electroluminescence element, ink composition, organic electroluminescence element, and electronic device EED, BMI1, CD99 OPRD1 1187/4885CHKA 2310/4885MAOB 760/4885
US-20170062733-A1 COMPOSITION, COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE ELEMENT, INK COMPOSITION, ORGANIC ELECTROLUMINESCENCE ELEMENT, AND ELECTRONIC DEVICE EED, BMI1, CD99 OPRD1 1187/4885CHKA 2310/4885MAOB 760/4885

“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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