SCHEMBL18577894

SCHEMBL18577894

[Se]=P(c1ccccc1)(c1ccccc1)c1ccc(-c2cnc(Br)nc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 1/20 0.46
▸ ESR2 Q92731 1/20 0.46
▸ RAB9A P51151 5/20 0.44
▸ SMN1; SMN2 Q16637 4/20 0.44
▸ NPC1 O15118 4/20 0.44
▸ NFKB1 P19838 2/20 0.44
▸ NFKB2 Q00653 2/20 0.44
▸ RELA Q04206 2/20 0.44
▸ ALDH1A1 P00352 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ GAA P10253 1/20 0.33
▸ ATM Q13315 1/20 0.32
▸ MAPT P10636 2/20 0.31
▸ L3MBTL1 Q9Y468 2/20 0.30

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
SCHEMBL18577898 0.84 RAB9A (0.46) ESR1ESR2RAB9ASMN1; SMN2NPC1
SCHEMBL18577907 0.84 SMN1; SMN2 (0.46) RAB9ASMN1; SMN2NPC1NFKB1NFKB2
SCHEMBL2546504 0.78 RAB9A (0.61) RAB9ASMN1; SMN2NPC1NFKB1NFKB2
SCHEMBL18577917 0.73 ESR1 (0.41) ESR1ESR2RAB9ASMN1; SMN2NPC1
SCHEMBL18577919 0.72 ESR1 (0.60) ESR1ESR2RAB9ASMN1; SMN2NPC1
SCHEMBL1157738 0.71 ESR1 (0.70) ESR1ESR2ALDH1A1MAPK1CA1
SCHEMBL18577903 0.69 LMNA (0.40) RAB9ASMN1; SMN2NPC1NFKB1NFKB2
Lithium SCHEMBL31438912 0.68 ESR1 (0.67) ESR1ESR2ALDH1A1MAPK1CA1
SCHEMBL1813329 0.68 NPC1 (0.37) RAB9ASMN1; SMN2NPC1NFKB1NFKB2
SCHEMBL18577923 0.67 ESR1 (0.45) ESR1ESR2RAB9ASMN1; SMN2NPC1

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 ESR1 13/4885ESR2 102/4885RAB9A 3558/4885

“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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