SCHEMBL13846442

SCHEMBL13846442

C/C(=C/C(=O)c1ccccc1)Nc1ccc(Cl)cc1Sc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 4/20 0.49
▸ POLB P06746 1/20 0.49
▸ MAPT P10636 8/20 0.48
▸ RAB9A P51151 6/20 0.48
▸ HPGD P15428 2/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ CYP2D6 P10635 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ NPC1 O15118 5/20 0.47
▸ MAPK1 P28482 4/20 0.47
▸ HTT P42858 2/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ TP53 P04637 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ THRB P10828 1/20 0.46
▸ L3MBTL1 Q9Y468 3/20 0.46

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
SCHEMBL13846448 0.87 TDP1 (0.50) GAAMAPTRAB9AHPGDCYP1A2
SCHEMBL13846413 0.86 MAPT (0.49) GAAPOLBMAPTRAB9AHPGD
SCHEMBL13846431 0.85 MAPT (0.62) GAAPOLBMAPTRAB9AHPGD
SCHEMBL15706704 0.83 MAPT (0.45) GAAMAPTRAB9AHPGDCYP1A2
SCHEMBL15504788 0.78 L3MBTL1 (0.61) GAAMAPTRAB9AHPGDNPC1
SCHEMBL13850040 0.78 MAPT (0.61) GAAPOLBMAPTRAB9AHPGD
SCHEMBL15504789 0.78 L3MBTL1 (0.51) GAAMAPTRAB9AHPGDCYP1A2
SCHEMBL13846426 0.75 MAPT (0.64) GAAPOLBMAPTRAB9AHPGD
SCHEMBL13846427 0.75 MAPT (0.56) GAAPOLBMAPTRAB9AHPGD
SCHEMBL13846416 0.75 MAPT (0.49) GAAPOLBMAPTRAB9AHPGD

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 4 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-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 GAA 2185/4885POLB 341/4885MAPT 450/4885
US-20090137383-A1 CLASS OF ORGANIC COMPOUNDS CONTAINING HETEROATOM AND ITS APPLICATIONS IN PREPARING SINGLE-SITE ZIEGLER-NATTA CATALYST CCNT1, SP1, CCNT2 GAA 2185/4885POLB 341/4885MAPT 450/4885

“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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