SCHEMBL21172870

SCHEMBL21172870

Cc1c(I)cccc2cccc1-2

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CD274 Q9NZQ7 10/20 0.47
▸ PDCD1 Q15116 9/20 0.47
▸ ADRA2A P08913 1/20 0.33
▸ HTR7 P34969 1/20 0.33
▸ ADRA1A P35348 1/20 0.33
▸ CYP2A6 P11509 2/20 0.32
▸ CYP2B6 P20813 1/20 0.32
▸ ALDH1A1 P00352 4/20 0.32
▸ HSD17B10 Q99714 2/20 0.32
▸ HPGD P15428 1/20 0.32
▸ BCL2L1 Q07817 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ CYP3A4 P08684 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ PIK3CA P42336 1/20 0.31
▸ PARP10 Q53GL7 1/20 0.31
▸ PARP11 Q9NR21 1/20 0.31

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
SCHEMBL24051152 0.95 PDCD1 (0.53) CD274PDCD1ADRA2AHTR7ADRA1A
SCHEMBL10304866 0.85 PTGS2 (0.42) CD274PDCD1HTR7
Bromide SCHEMBL10999650 0.83 PDCD1 (0.47) CD274PDCD1ADRA2AHTR7ADRA1A
SCHEMBL13760020 0.82 ACHE (0.39) CD274PDCD1ALDH1A1
SCHEMBL13368945 0.82 ABL1 (0.50) CD274PDCD1HTR7
Propionic Acid SCHEMBL4423846 0.82 CD274 (0.50) CD274PDCD1ALDH1A1
SCHEMBL15593264 0.79 HTR7 (0.41) CD274PDCD1HTR7
SCHEMBL15593265 0.78 TRPA1 (0.41) CYP2A6ALDH1A1TSHRPIK3CA
SCHEMBL3838615 0.78 — —
SCHEMBL21172871 0.76 PDCD1 (0.44) CD274PDCD1HTR7CYP2A6CYP2B6

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-11716897-B2 Organometallic compound, organic light-emitting device including the organometallic compound, and organic light-emitting apparatus including the organic light-emitting device SAMSUNG DISPLAY CO., LTD. (KR) 2023-08-01 — — US disclosed
US-20190221756-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE ORGANOMETALLIC COMPOUND, AND ORGANIC LIGHT-EMITTING APPARATUS INCLUDING THE ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2019-07-18 — — 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-20190221756-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE ORGANOMETALLIC COMPOUND, AND ORGANIC LIGHT-EMITTING APPARATUS INCLUDING THE ORGANIC LIGHT-EMITTING DEVICE OCIAD1, LEF1, ORC3 CD274 148/4885PDCD1 282/4885ADRA2A 4461/4885
US-11716897-B2 Organometallic compound, organic light-emitting device including the organometallic compound, and organic light-emitting apparatus including the organic light-emitting device OCIAD1, LEF1, ORC3 CD274 148/4885PDCD1 282/4885ADRA2A 4461/4885

“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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