SCHEMBL18577917

SCHEMBL18577917

[Se]=P(c1ccccc1)(c1ccccc1)c1ccc(-c2ncnc(Br)n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 1/20 0.41
▸ ESR2 Q92731 1/20 0.41
▸ NPC1 O15118 1/20 0.33
▸ NFKB1 P19838 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ NFKB2 Q00653 1/20 0.33
▸ RELA Q04206 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ NR1H4 Q96RI1 1/20 0.32
▸ DGAT1 O75907 1/20 0.30
▸ NR1H2 P55055 1/20 0.30
▸ NR1H3 Q13133 1/20 0.30
▸ CSF1R P07333 1/20 0.30
▸ PDGFRB P09619 1/20 0.30
▸ GSK3A P49840 1/20 0.30
▸ CDK9 P50750 1/20 0.30
▸ CDK5 Q00535 1/20 0.30
▸ ACVR1 Q04771 1/20 0.30
▸ CDK5R1 Q15078 1/20 0.30
▸ TAOK1 Q7L7X3 1/20 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
SCHEMBL28635605 0.81 RAB9A (0.48) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL28248890 0.81 RAB9A (0.42) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL18577894 0.73 ESR1 (0.46) ESR1ESR2NPC1NFKB1RAB9A
SCHEMBL28908263 0.70 GP6 (0.42) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL20918327 0.69 NPC1 (0.47) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL474978 0.69 NPC1 (0.60) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL28888790 0.68 ALDH1A1 (0.42) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL23008430 0.67 NPC1 (0.52) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL18577919 0.67 ESR1 (0.60) ESR1ESR2NPC1NFKB1RAB9A
SCHEMBL16922581 0.67 NPC1 (0.52) NPC1NFKB1RAB9ANFKB2RELA

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 102/4885NPC1 3877/4885

“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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