SCHEMBL2295020

SCHEMBL2295020

CCOC(=O)C1CCCCC1CC

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.46
CYP3A4 P08684 1/20 0.46
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PPM1B O75688 1/20 0.39
PTPN1 P18031 1/20 0.39
PPP1CC P36873 1/20 0.39
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
MAPT P10636 2/20 0.38
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
FKBP1A P62942 2/20 0.37
CA9 Q16790 1/20 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
SCHEMBL10289783 1.00 TP53 (0.46) TP53CYP3A4ALDH1A1MEN1KMT2A
SCHEMBL763361 1.00 TP53 (0.46) TP53CYP3A4ALDH1A1MEN1KMT2A
SCHEMBL13616930 0.98 ALDH1A1 (0.45) TP53CYP3A4ALDH1A1MEN1KMT2A
SCHEMBL16508896 0.96 TP53 (0.42) TP53CYP3A4ALDH1A1PPM1BPTPN1
SCHEMBL18635630 0.88 CA1 (0.42) ALDH1A1PPM1BPTPN1PPP1CCMAPT
SCHEMBL4617750 0.87 ALDH1A1 (0.41) TP53CYP3A4ALDH1A1MEN1KMT2A
SCHEMBL234644 0.86 TP53 (0.53) TP53CYP3A4ALDH1A1MEN1KMT2A
SCHEMBL6900183 0.86 TP53 (0.53) TP53CYP3A4ALDH1A1MEN1KMT2A
SCHEMBL28405577 0.86 TP53 (0.53) TP53CYP3A4ALDH1A1MEN1KMT2A
SCHEMBL13011542 0.86 TP53 (0.53) TP53CYP3A4ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7999136-B2 Amide compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-08-16 US disclosed
US-20100137445-A1 PLANT DISEASE CONTROL AGENT, AND PLANT DISEASE CONTROL METHOD SUMITOMO CHEMICAL COMPANY ,LIMITED 2010-06-03 US disclosed
US-20100137376-A1 AMIDE COMPOUND AND METHOD FOR CONTROLLING PLANT DISEASE USING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-06-03 US disclosed
EP-2179651-A1 PLANT DISEASE CONTROL AGENT, AND PLANT DISEASE CONTROL METHOD Sumitomo Chemical Company, Limited (JP) 2010-04-28 EP disclosed
EP-2174931-A1 AMIDE COMPOUND AND METHOD FOR CONTROLLING PLANT DISEASE USING THE SAME Sumitomo Chemical Company, Limited (JP) 2010-04-14 EP disclosed
US-20100069499-A1 AMIDE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-03-18 US disclosed
US-20100056640-A1 AMIDE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-03-04 US disclosed
EP-2151431-A1 AMIDE COMPOUND AND USE THEREOF Sumitomo Chemical Company, Limited (JP) 2010-02-10 EP disclosed
EP-2143709-A1 AMIDE COMPOUND AND USE THEREOF Sumitomo Chemical Company, Limited (JP) 2010-01-13 EP disclosed
CN-1065549-C Preparing method of polycarbonate GEN ELECTRIC (US) 2001-05-09 CN disclosed
CN-1130647-A Method for manufacturing polycarbonate GEN ELECTRIC (US) 1996-09-11 CN disclosed
CN-1129717-A Preparing method of polycarbonate GEN ELECTRIC (US) 1996-08-28 CN disclosed
EP-0478800-B1 HOT-MELT ADHESIVE MITSUI PETROCHEMICAL IND (JP) 1995-07-19 EP disclosed
US-5244996-A Random copolymer of an olefin and an aromatic vinyl monomer MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1993-09-14 US disclosed
EP-0478800-A1 HOT-MELT ADHESIVE MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1992-04-08 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 (4 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-20100056640-A1 AMIDE COMPOUND AND USE THEREOF NAT1, AGXT, HAX1 TP53 4656/4885CYP3A4 2216/4885ALDH1A1 2983/4885
US-20100069499-A1 AMIDE COMPOUND AND USE THEREOF CBR1, CBR3, GBA1 TP53 3278/4885CYP3A4 1876/4885ALDH1A1 2111/4885
US-20100137376-A1 AMIDE COMPOUND AND METHOD FOR CONTROLLING PLANT DISEASE USING THE SAME NAAA, NAT1, SAT1 TP53 4711/4885CYP3A4 4248/4885ALDH1A1 3424/4885
US-20100137445-A1 PLANT DISEASE CONTROL AGENT, AND PLANT DISEASE CONTROL METHOD CBR3, CBR1, HDHD5 TP53 4733/4885CYP3A4 2352/4885ALDH1A1 2677/4885

“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.