SCHEMBL18958656

SCHEMBL18958656

OB(O)c1cccc2c1c1ccccc1n2-c1cccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)c2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ COMT P21964 1/20 0.36
▸ GABRG2 P18507 1/20 0.36
▸ GABRB3 P28472 1/20 0.36
▸ GABRA5 P31644 1/20 0.36
▸ GABRA3 P34903 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ ATM Q13315 1/20 0.36
▸ ADORA3 P0DMS8 1/20 0.34
▸ ADORA2B P29275 1/20 0.34
▸ ADORA1 P30542 1/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ GAA P10253 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.32
▸ CYP19A1 P11511 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ LMNA P02545 1/20 0.32

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
SCHEMBL18958659 0.97 ADORA3 (0.36) COMTGABRG2GABRB3GABRA5GABRA3
SCHEMBL18958653 0.91 MEN1 (0.38) COMTKDM4EL3MBTL1ATMKMT2A
SCHEMBL17349641 0.91 ADORA3 (0.37) KDM4EL3MBTL1ATMADORA3ADORA2B
SCHEMBL17349636 0.91 ADORA3 (0.37) KDM4EL3MBTL1ATMADORA3ADORA2B
SCHEMBL18958654 0.90 KDM4E (0.36) KDM4EL3MBTL1ATMKMT2AGAA
SCHEMBL18958661 0.90 MEN1 (0.39) COMTKDM4EL3MBTL1ATMADORA3
SCHEMBL29634620 0.89 COMT (0.44) COMTKDM4EL3MBTL1ATMKMT2A
SCHEMBL17349038 0.89 COMT (0.44) COMTKDM4EL3MBTL1ATMKMT2A
SCHEMBL18958660 0.88 HTR1A (0.37) KDM4EL3MBTL1LMNA
SCHEMBL18958302 0.86 GAA (0.36) COMTGABRG2GABRB3GABRA5GABRA3

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-20170170407-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD (KR) 2017-06-15 — — US disclosed
US-20170170407-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD (KR) 2017-06-15 — — 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-20170170407-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF OR10J3, OR51E2, ETV6 COMT 296/4885GABRG2 3021/4885GABRB3 3989/4885

“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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