SCHEMBL13846438

SCHEMBL13846438

O=C(/C=C(\Nc1ccccc1P(c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NFE2L2 Q16236 1/20 0.41
▸ MAPT P10636 9/20 0.40
▸ RAB9A P51151 8/20 0.40
▸ NPC1 O15118 7/20 0.40
▸ GAA P10253 6/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ THRB P10828 1/20 0.40
▸ MAPK1 P28482 5/20 0.38
▸ SMN1; SMN2 Q16637 4/20 0.38
▸ TP53 P04637 2/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ HPGD P15428 3/20 0.37
▸ NFKB1 P19838 2/20 0.37
▸ NFKB2 Q00653 2/20 0.37
▸ RELA Q04206 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ HDAC1 Q13547 2/20 0.37
▸ HDAC2 Q92769 2/20 0.37

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
SCHEMBL13846447 0.86 MAPT (0.54) NFE2L2MAPTRAB9ANPC1GAA
SCHEMBL13849997 0.84 GAA (0.37) MAPTRAB9ANPC1GAAMEN1
SCHEMBL28611349 0.79 NPC1 (0.48) NFE2L2MAPTRAB9ANPC1GAA
SCHEMBL28611345 0.79 NPC1 (0.48) NFE2L2MAPTRAB9ANPC1GAA
SCHEMBL7521076 0.79 MDM4 (0.54) MAPTRAB9ANPC1MEN1KMT2A
SCHEMBL28755192 0.77 GAA (0.60) NFE2L2MAPTRAB9ANPC1GAA
SCHEMBL29230461 0.75 ALDH1A1 (0.53) MAPTRAB9ANPC1KMT2AMAPK1
SCHEMBL13846445 0.75 MAPT (0.59) MAPTRAB9ANPC1GAAMEN1
SCHEMBL28604026 0.73 KMT2A (0.48) MAPTRAB9ANPC1GAAMEN1
SCHEMBL28598732 0.73 KMT2A (0.48) MAPTRAB9ANPC1GAAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140073500-A1 CLASS OF ORGANIC COMPOUNDS CONTAINING HETEROATOM AND ITS APPLICATIONS IN PREPARING SINGLE-SITE ZIEGLER-NATTA CATALYST SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2014-03-13 — — US disclosed
US-20140073500-A1 CLASS OF ORGANIC COMPOUNDS CONTAINING HETEROATOM AND ITS APPLICATIONS IN PREPARING SINGLE-SITE ZIEGLER-NATTA CATALYST SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2014-03-13 — — US disclosed
US-20090137383-A1 CLASS OF ORGANIC COMPOUNDS CONTAINING HETEROATOM AND ITS APPLICATIONS IN PREPARING SINGLE-SITE ZIEGLER-NATTA CATALYST SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2009-05-28 — — US disclosed
US-20090137383-A1 CLASS OF ORGANIC COMPOUNDS CONTAINING HETEROATOM AND ITS APPLICATIONS IN PREPARING SINGLE-SITE ZIEGLER-NATTA CATALYST SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2009-05-28 — — US disclosed
EP-2039677-A1 ORGANIC COMPOUNDS CONTAINING HETEROATOMS AND THEIR USE IN ZIEGLER-NATTA CATALYST WITH SINGLE ACTIVATION CENTER SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2009-03-25 — — EP 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-20140073500-A1 CLASS OF ORGANIC COMPOUNDS CONTAINING HETEROATOM AND ITS APPLICATIONS IN PREPARING SINGLE-SITE ZIEGLER-NATTA CATALYST CCNT1, SP1, CCNT2 NFE2L2 274/4885MAPT 450/4885RAB9A 4804/4885
US-20090137383-A1 CLASS OF ORGANIC COMPOUNDS CONTAINING HETEROATOM AND ITS APPLICATIONS IN PREPARING SINGLE-SITE ZIEGLER-NATTA CATALYST CCNT1, SP1, CCNT2 NFE2L2 274/4885MAPT 450/4885RAB9A 4804/4885

“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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