SCHEMBL18017695

SCHEMBL18017695

c1ccc(-c2nc(-c3cccc(-c4cccc(-c5cccc(-c6cccc(-c7nc(-c8ccccc8)c8c(n7)oc7ccccc78)c6)c5)c4)c3)c3c(n2)sc2ccccc23)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 6/20 0.34
▸ ADORA1 P30542 5/20 0.34
▸ WHR1 P49842 1/20 0.33
▸ HPGD P15428 3/20 0.33
▸ ELANE P08246 1/20 0.33
▸ MEN1 O00255 3/20 0.32
▸ KMT2A Q03164 3/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ ATM Q13315 1/20 0.30
▸ USP2 O75604 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30
▸ PLA2G10 O15496 1/20 0.30
▸ PLA2G2A P14555 1/20 0.30
▸ PLA2G4A P47712 1/20 0.30
▸ CSF1R P07333 1/20 0.30

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
SCHEMBL18017688 1.00 ADORA2A (0.34) ADORA2AADORA1WHR1HPGDELANE
SCHEMBL18017703 1.00 ADORA2A (0.34) ADORA2AADORA1WHR1HPGDELANE
SCHEMBL18017702 0.99 ADORA2A (0.34) ADORA2AADORA1WHR1HPGDELANE
SCHEMBL18017946 0.98 ADORA2A (0.33) ADORA2AADORA1WHR1HPGDELANE
SCHEMBL18017970 0.98 ADORA2A (0.33) ADORA2AADORA1WHR1HPGDELANE
SCHEMBL18017949 0.98 ADORA2A (0.33) ADORA2AADORA1WHR1HPGDELANE
SCHEMBL18017829 0.98 ELANE (0.33) ADORA2AADORA1WHR1HPGDELANE
SCHEMBL18017689 0.98 ADORA2A (0.35) ADORA2AADORA1WHR1HPGDELANE
SCHEMBL18017698 0.98 ADORA2A (0.35) ADORA2AADORA1WHR1HPGDELANE
SCHEMBL18017681 0.98 ADORA2A (0.35) ADORA2AADORA1WHR1HPGDELANE

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-20160240791-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE AND ORGANIC OPTOELECTRONIC DEVICE AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2016-08-18 — — US disclosed
US-20160240791-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE AND ORGANIC OPTOELECTRONIC DEVICE AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2016-08-18 — — 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-20160240791-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE AND ORGANIC OPTOELECTRONIC DEVICE AND DISPLAY DEVICE OR10J3, OXER1, OCIAD1 ADORA2A 3675/4885ADORA1 2882/4885WHR1 3349/4885

“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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