SCHEMBL18853413

SCHEMBL18853413

c1ccc(-c2cccc(-c3cccc(-c4nc(-c5cccc(-c6cccc(-c7ccccc7)c6)c5)c5c(n4)sc4ccc6ccccc6c45)c3)c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 7/20 0.36
▸ ADORA1 P30542 6/20 0.36
▸ GP6 Q9HCN6 1/20 0.35
▸ CYP1A1 P04798 1/20 0.34
▸ CYP1B1 Q16678 1/20 0.34
▸ HPGD P15428 4/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ NPY1R P25929 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ NPY2R P49146 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ ADORA3 P0DMS8 1/20 0.32
▸ MAP3K8 P41279 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ F9 P00740 1/20 0.32
▸ NQO1 P15559 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
SCHEMBL18853466 0.97 ADORA2A (0.36) ADORA2AADORA1GP6CYP1A1CYP1B1
SCHEMBL18853497 0.97 ADORA2A (0.39) ADORA2AADORA1GP6CYP1A1CYP1B1
SCHEMBL18853488 0.97 ADORA2A (0.39) ADORA2AADORA1GP6CYP1A1CYP1B1
SCHEMBL18853298 0.97 ADORA2A (0.36) ADORA2AADORA1GP6CYP1A1CYP1B1
SCHEMBL18853319 0.96 ADORA2A (0.39) ADORA2AADORA1CYP1A1CYP1B1HPGD
SCHEMBL18853468 0.96 ADORA2A (0.39) ADORA2AADORA1GP6CYP1A1CYP1B1
SCHEMBL18853477 0.96 ADORA2A (0.36) ADORA2AADORA1GP6CYP1A1CYP1B1
SCHEMBL18853302 0.96 ADORA2A (0.36) ADORA2AADORA1GP6CYP1A1CYP1B1
SCHEMBL18853538 0.92 ALDH1A1 (0.38) ADORA2AADORA1GP6CYP1A1CYP1B1
SCHEMBL18853323 0.92 ALDH1A1 (0.38) ADORA2AADORA1GP6CYP1A1CYP1B1

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 1978/4885GP6 1846/4885
US-10680190-B2 Organic compound, organic optoelectronic element, and display device OCIAD1, OXER1, OCIAD2 ADORA2A 3900/4885ADORA1 1978/4885GP6 1846/4885

“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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