SCHEMBL18577903

SCHEMBL18577903

O=P(c1ccccc1)(c1ccccc1)c1cnc(Br)nc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.40
▸ CA2 P00918 1/20 0.38
▸ CA4 P22748 1/20 0.38
▸ CA5A P35218 1/20 0.38
▸ KCNA5 P22460 3/20 0.37
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ ALDH1A1 P00352 3/20 0.35
▸ NPSR1 Q6W5P4 3/20 0.35
▸ HTT P42858 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ CFTR P13569 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ ALPG P10696 1/20 0.33
▸ ALOX12 P18054 1/20 0.33
▸ NPY1R P25929 1/20 0.33
▸ NPY2R P49146 1/20 0.33

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
SCHEMBL18577907 0.86 SMN1; SMN2 (0.46) LMNACA2CA4CA5AKCNA5
SCHEMBL21066301 0.80 LMNA (0.42) LMNACA2CA4CA5AKCNA5
SCHEMBL18577923 0.77 ESR1 (0.45) CA2CA4CA5AKCNA5ALDH1A1
Triphenylphosphine Oxide SCHEMBL3949 0.76 CA2 (0.58) LMNACA2CA4CA5AMEN1
Triphenylphosphine Oxide SCHEMBL513223 0.76 CA2 (0.58) LMNACA2CA4CA5AMEN1
SCHEMBL14076802 0.75 LMNA (0.44) LMNACA2CA4CA5AKCNA5
Triphenylphosphine Oxide SCHEMBL15533922 0.74 CA2 (0.55) LMNACA2CA4CA5AMEN1
Triphenylphosphine Oxide SCHEMBL11470990 0.74 CA2 (0.55) LMNACA2CA4CA5AMEN1
Triphenylphosphine Oxide SCHEMBL14471889 0.74 CA2 (0.55) LMNACA2CA4CA5AMEN1
Triphenylphosphine Oxide SCHEMBL3998427 0.74 CA2 (0.55) LMNACA2CA4CA5AMEN1

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-9997722-B2 Compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2018-06-12 — — US disclosed
US-20170069849-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2017-03-09 — — 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-20170069849-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME ELOVL1, L1CAM, CRY1 LMNA 1377/4885CA2 2462/4885CA4 2605/4885

“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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