SCHEMBL18853409

SCHEMBL18853409

c1ccc(-c2cccc(-c3cccc(-c4nc(-c5ccccc5)c5c(n4)sc4cc6ccccc6cc45)c3)c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 10/20 0.38
▸ ADORA1 P30542 8/20 0.38
▸ HPGD P15428 3/20 0.36
▸ WHR1 P49842 1/20 0.35
▸ ADORA3 P0DMS8 3/20 0.34
▸ GP6 Q9HCN6 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ NFKB1 P19838 1/20 0.32
▸ CASP3 P42574 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ NFKB2 Q00653 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ RELA Q04206 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ SENP8 Q96LD8 1/20 0.32
▸ SENP7 Q9BQF6 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
SCHEMBL18853358 1.00 ADORA2A (0.38) ADORA2AADORA1HPGDWHR1ADORA3
SCHEMBL18853474 0.99 ADORA2A (0.37) ADORA2AADORA1HPGDWHR1ADORA3
SCHEMBL18853485 0.99 ADORA2A (0.37) ADORA2AADORA1HPGDWHR1ADORA3
SCHEMBL18853639 0.97 ADORA2A (0.38) ADORA2AADORA1HPGDWHR1ADORA3
SCHEMBL18853305 0.95 ADORA2A (0.41) ADORA2AADORA1HPGDADORA3KDM4E
SCHEMBL18853496 0.95 ADORA2A (0.41) ADORA2AADORA1HPGDADORA3KDM4E
SCHEMBL18853465 0.94 ADORA2A (0.40) ADORA2AADORA1HPGDADORA3KDM4E
SCHEMBL18853417 0.94 ADORA2A (0.40) ADORA2AADORA1HPGDADORA3KDM4E
SCHEMBL18853450 0.92 HPGD (0.40) ADORA2AADORA1HPGDWHR1ADORA3
SCHEMBL18853456 0.92 HPGD (0.40) ADORA2AADORA1HPGDWHR1ADORA3

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-10680190-B2 Organic compound, organic optoelectronic element, and display device SAMSUNG SDI CO., LTD. (KR) 2020-06-09 — — US disclosed
US-20170141331-A1 ORGANIC COMPOUND, ORGANIC OPTOELECTRONIC ELEMENT, AND DISPLAY DEVICE SAMSUNG SDI CO.,LTD. (KR) 2017-05-18 — — US disclosed
US-20170141331-A1 ORGANIC COMPOUND, ORGANIC OPTOELECTRONIC ELEMENT, AND DISPLAY DEVICE SAMSUNG SDI CO.,LTD. (KR) 2017-05-18 — — 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 (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-20170141331-A1 ORGANIC COMPOUND, ORGANIC OPTOELECTRONIC ELEMENT, AND DISPLAY DEVICE OCIAD1, OXER1, OCIAD2 ADORA2A 3900/4885ADORA1 1978/4885HPGD 3408/4885
US-10680190-B2 Organic compound, organic optoelectronic element, and display device OCIAD1, OXER1, OCIAD2 ADORA2A 3900/4885ADORA1 1978/4885HPGD 3408/4885

“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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