SCHEMBL19797430

SCHEMBL19797430

O=P(c1ccccc1)(c1ccccc1)c1cc(Br)cc(Br)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ LMNA P02545 1/20 0.42
▸ CA2 P00918 1/20 0.41
▸ CA4 P22748 1/20 0.41
▸ CA5A P35218 1/20 0.41
▸ ALDH1A1 P00352 4/20 0.40
▸ HTT P42858 2/20 0.40
▸ HPGD P15428 1/20 0.40
▸ TDP1 Q9NUW8 2/20 0.38
▸ MAPK1 P28482 1/20 0.37
▸ CFTR P13569 1/20 0.37
▸ GAA P10253 2/20 0.36
▸ MCHR1 Q99705 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ ALPG P10696 1/20 0.35
▸ ALOX12 P18054 1/20 0.35
▸ NPY1R P25929 1/20 0.35
▸ NPY2R P49146 1/20 0.35

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
SCHEMBL31526877 0.85 CYP3A4 (0.30) TDP1TSHR
SCHEMBL30642417 0.84 ALDH1A1 (0.42) KMT2AMEN1LMNACA2CA4
SCHEMBL13454395 0.84 ALDH1A1 (0.42) KMT2AMEN1LMNACA2CA4
SCHEMBL13074801 0.84 ALDH1A1 (0.42) KMT2AMEN1LMNACA2CA4
SCHEMBL31371307 0.84 ALDH1A1 (0.42) KMT2AMEN1LMNACA2CA4
SCHEMBL5450490 0.83 CA2 (0.50) KMT2AMEN1LMNACA2CA4
SCHEMBL19678155 0.82 CYP3A4 (0.40) KMT2AMEN1LMNACA2CA4
SCHEMBL6568180 0.81 ALDH1A1 (0.52) KMT2AMEN1LMNACA2CA4
SCHEMBL2678331 0.81 ALDH1A1 (0.52) KMT2AMEN1LMNACA2CA4
Triphenylphosphine Oxide SCHEMBL27649200 0.80 CA2 (0.52) KMT2AMEN1LMNACA2CA4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180026206-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2018-01-25 — — 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-20180026206-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, CYP1A1, CYP1B1 KMT2A 1251/4885MEN1 576/4885LMNA 2798/4885

“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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