SCHEMBL13846431

SCHEMBL13846431

C/C(=C/C(=O)c1ccccc1)Nc1ccccc1Sc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.62
▸ TDP1 Q9NUW8 3/20 0.62
▸ L3MBTL1 Q9Y468 6/20 0.56
▸ ALDH1A1 P00352 6/20 0.52
▸ KMT2A Q03164 4/20 0.52
▸ NPC1 O15118 4/20 0.52
▸ RAB9A P51151 4/20 0.52
▸ MEN1 O00255 3/20 0.52
▸ GAA P10253 2/20 0.52
▸ THRB P10828 1/20 0.52
▸ BLM P54132 1/20 0.52
▸ GLA P06280 1/20 0.52
▸ HPGD P15428 4/20 0.51
▸ MAPK1 P28482 4/20 0.51
▸ LMNA P02545 4/20 0.51
▸ ATM Q13315 1/20 0.51
▸ TSHR P16473 1/20 0.51
▸ NFKB1 P19838 1/20 0.51
▸ NFKB2 Q00653 1/20 0.51
▸ RELA Q04206 1/20 0.51

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
SCHEMBL15504788 0.92 L3MBTL1 (0.61) MAPTTDP1L3MBTL1ALDH1A1KMT2A
SCHEMBL13850040 0.92 MAPT (0.61) MAPTTDP1L3MBTL1ALDH1A1KMT2A
SCHEMBL13846426 0.89 MAPT (0.64) MAPTTDP1L3MBTL1ALDH1A1KMT2A
SCHEMBL15504789 0.89 L3MBTL1 (0.51) MAPTTDP1L3MBTL1ALDH1A1KMT2A
SCHEMBL13850039 0.88 MAPT (0.49) MAPTTDP1L3MBTL1ALDH1A1KMT2A
SCHEMBL13846422 0.88 MAPT (0.52) MAPTTDP1L3MBTL1ALDH1A1KMT2A
SCHEMBL13846413 0.88 MAPT (0.49) MAPTTDP1L3MBTL1ALDH1A1KMT2A
SCHEMBL13846427 0.87 MAPT (0.56) MAPTTDP1L3MBTL1ALDH1A1KMT2A
SCHEMBL13846441 0.87 TDP1 (0.59) MAPTTDP1L3MBTL1ALDH1A1KMT2A
SCHEMBL13846448 0.86 TDP1 (0.50) MAPTTDP1L3MBTL1ALDH1A1KMT2A

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 MAPT 450/4885TDP1 3612/4885L3MBTL1 991/4885
US-20090137383-A1 CLASS OF ORGANIC COMPOUNDS CONTAINING HETEROATOM AND ITS APPLICATIONS IN PREPARING SINGLE-SITE ZIEGLER-NATTA CATALYST CCNT1, SP1, CCNT2 MAPT 450/4885TDP1 3612/4885L3MBTL1 991/4885

“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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