SCHEMBL17914766

SCHEMBL17914766

c1ccc(-c2cccc(-c3cccc(-c4nc5ccccc5c5c6ccccc6c6ccccc6c45)c3)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 4/20 0.42
▸ DHODH Q02127 4/20 0.40
▸ NUDT1 P36639 1/20 0.40
▸ PDE10A Q9Y233 3/20 0.39
▸ ACHE P22303 1/20 0.39
▸ LMNA P02545 4/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ PKM P14618 1/20 0.38
▸ ESR1 P03372 1/20 0.38
▸ ESR2 Q92731 1/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ TSHR P16473 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ THRB P10828 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL17914761 0.98 ADORA2A (0.41) ADORA2ADHODHNUDT1PDE10AACHE
SCHEMBL17914759 0.98 DHODH (0.42) ADORA2ADHODHNUDT1PDE10AACHE
SCHEMBL17914812 0.97 DHODH (0.44) ADORA2ADHODHNUDT1PDE10ALMNA
SCHEMBL17915195 0.92 MEN1 (0.47) ADORA2ADHODHLMNAKDM4EALDH1A1
SCHEMBL17914765 0.92 NOTUM (0.44) ADORA2ADHODHLMNAKDM4EALDH1A1
SCHEMBL17914887 0.92 ADORA2A (0.39) ADORA2ADHODHNUDT1PDE10AACHE
SCHEMBL17914764 0.91 NOTUM (0.43) ADORA2ADHODHLMNAKDM4EALDH1A1
SCHEMBL17915199 0.91 MEN1 (0.44) ADORA2ALMNATSHRALDH1A1
SCHEMBL17915321 0.90 MEN1 (0.48) ADORA2ANUDT1LMNATSHRALDH1A1
SCHEMBL17915249 0.90 MEN1 (0.48) ADORA2ANUDT1LMNATSHRALDH1A1

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-20160204357-A1 POLYCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING THE SAME HEESUNG MATERIAL LTD. (KR) 2016-07-14 — — US disclosed
US-20160204357-A1 POLYCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING THE SAME HEESUNG MATERIAL LTD. (KR) 2016-07-14 — — 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-20160204357-A1 POLYCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING THE SAME NOTUM, ORC3, PPOX ADORA2A 3592/4885DHODH 129/4885NUDT1 808/4885

“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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