SCHEMBL4901033

SCHEMBL4901033

CC(O)C[N+]1(C)CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APOBEC3A P31941 5/20 0.48
APOBEC3G Q9HC16 5/20 0.48
PABPC1 P11940 2/20 0.48
EIF4H Q15056 1/20 0.48
TP53 P04637 1/20 0.40
KDM4E B2RXH2 2/20 0.39
SLC22A2 O15244 1/20 0.37
TSHR P16473 3/20 0.35
LMNA P02545 3/20 0.35
TDP1 Q9NUW8 2/20 0.35
CYP3A4 P08684 1/20 0.35
BLM P54132 1/20 0.35
PMP22 Q01453 1/20 0.35
BBOX1 O75936 2/20 0.34
CTDSP1 Q9GZU7 1/20 0.34
HTT P42858 1/20 0.32
KMT2A Q03164 2/20 0.32
POLB P06746 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL4901634 0.97 APOBEC3A (0.46) APOBEC3AAPOBEC3GPABPC1EIF4HTP53
Water SCHEMBL1356208 0.95 APOBEC3A (0.44) APOBEC3AAPOBEC3GPABPC1EIF4HTP53
Acetic Acid SCHEMBL9056408 0.88 LMNA (0.44) APOBEC3AAPOBEC3GPABPC1EIF4HTP53
SCHEMBL4904797 0.87 PABPC1 (0.35) APOBEC3AAPOBEC3GPABPC1EIF4HTSHR
SCHEMBL4903057 0.80 PABPC1 (0.32) APOBEC3AAPOBEC3GPABPC1EIF4HTSHR
SCHEMBL319488 0.79 APOBEC3A (0.42) APOBEC3AAPOBEC3GPABPC1EIF4HTP53
SCHEMBL4893769 0.78 PABPC1 (0.32) APOBEC3AAPOBEC3GPABPC1EIF4H
Bromide SCHEMBL15157313 0.77 TP53 (0.41) APOBEC3AAPOBEC3GPABPC1EIF4HTP53
SCHEMBL4904919 0.77 APOBEC3A (0.33) APOBEC3AAPOBEC3GPABPC1EIF4HKDM4E
SCHEMBL15157545 0.77 APOBEC3A (0.41) APOBEC3AAPOBEC3GPABPC1EIF4HTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1867667-B1 Method for manufacturing stabilized polyacetal resin POLYPLASTICS CO (JP) 2012-10-31 EP disclosed
EP-1719768-B1 NOVEL BENZOTHIAZEPINE AND BENZOTHIEPINE COMPOUNDS ASAHI KASEI PHARMA CORP (JP) 2012-04-25 EP disclosed
US-20120015925-A1 NOVEL BENZOTHIAZEPINE AND BENZOTHIEPINE COMPOUNDS ASAHI KASEI PHARMA CORPORATION (JP) 2012-01-19 US disclosed
EP-1535913-B1 NOVEL QUATERNARY AMMONIUM COMPOUNDS ASAHI KASEI PHARMA CORP (JP) 2011-11-02 EP disclosed
US-7973030-B2 Benzothiazepine and benzothiepine compounds ASAHI KASEI PHARMA CORPORATION (JP) 2011-07-05 US disclosed
US-7803792-B2 Quaternary ammonium compounds ASAHI KASEI PHARMA CORPORATION (JP) 2010-09-28 US disclosed
US-7803792-B2 Quaternary ammonium compounds ASAHI KASEI PHARMA CORPORATION (JP) 2010-09-28 US disclosed
US-20080271381-A1 Method for manufacturing stabilized polyacetal resin, stabilized polyacetal resin, stabilized polyacetal resin composition, and molded article of stabilized polyacetal resin POLYPLASTICS CO., LTD (JP) 2008-11-06 US disclosed
US-7312208-B2 Quaternary ammonium compounds ASAHI KASEI PHARMA CORPORATION (JP) 2007-12-25 US disclosed
EP-1867667-A1 Method for manufacturing stabilized polyacetal resin, stabilized polyacetal resin, stabilized polyacetal resin composition, and molded article of stabilized polyacetal resin Polyplastics Co., Ltd. (JP) 2007-12-19 EP disclosed
US-20070203115-A1 Novel quaternary ammonium compounds ASAHI KASEI PHARMA CORPORATION (JP) 2007-08-30 US disclosed
US-20070203115-A1 Novel quaternary ammonium compounds ASAHI KASEI PHARMA CORPORATION (JP) 2007-08-30 US disclosed
US-20070190041-A1 Novel benzothiazepine and bensothiepine compounds ASHAI KASEI PHARAMA CORPORATION (JP) 2007-08-16 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 (3 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-20070203115-A1 Novel quaternary ammonium compounds SLC10A2, SLC10A1, ABCB11 APOBEC3A 4529/4885APOBEC3G 4525/4885PABPC1 2138/4885
US-20120015925-A1 NOVEL BENZOTHIAZEPINE AND BENZOTHIEPINE COMPOUNDS SLC10A1, SREBF1, SPTLC1 APOBEC3A 4756/4885APOBEC3G 4846/4885PABPC1 1632/4885
US-20070190041-A1 Novel benzothiazepine and bensothiepine compounds SLC10A1, GOT1, CES1 APOBEC3A 4755/4885APOBEC3G 4848/4885PABPC1 1747/4885

“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.