SCHEMBL2295014

SCHEMBL2295014

C[CH]C1CCCCC1C(=O)OCC

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
TAS1R3 Q7RTX0 2/20 0.39
TAS1R1 Q7RTX1 2/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
PPM1B O75688 1/20 0.37
PTPN1 P18031 1/20 0.37
PPP1CC P36873 1/20 0.37
MAPT P10636 2/20 0.36
FKBP1A P62942 2/20 0.35

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
SCHEMBL1999668 0.86 TP53 (0.43) ALDH1A1TP53CYP3A4TAS1R3TAS1R1
SCHEMBL28405577 0.82 TP53 (0.53) ALDH1A1TP53CYP3A4TAS1R3TAS1R1
SCHEMBL234644 0.82 TP53 (0.53) ALDH1A1TP53CYP3A4TAS1R3TAS1R1
SCHEMBL6900183 0.82 TP53 (0.53) ALDH1A1TP53CYP3A4TAS1R3TAS1R1
SCHEMBL13011542 0.82 TP53 (0.53) ALDH1A1TP53CYP3A4TAS1R3TAS1R1
SCHEMBL14037863 0.82 TP53 (0.40) ALDH1A1TP53CYP3A4PPM1BPTPN1
SCHEMBL1169984 0.81 TP53 (0.52) ALDH1A1TP53CYP3A4TAS1R3TAS1R1
SCHEMBL1169988 0.81 TP53 (0.52) ALDH1A1TP53CYP3A4TAS1R3TAS1R1
SCHEMBL1170182 0.81 TP53 (0.52) ALDH1A1TP53CYP3A4TAS1R3TAS1R1
SCHEMBL2295233 0.79 SLC6A2 (0.40) TAS1R3TAS1R1

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 9 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

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 ALDH1A1 2983/4885TP53 4656/4885CYP3A4 2216/4885
US-20100069499-A1 AMIDE COMPOUND AND USE THEREOF CBR1, CBR3, GBA1 ALDH1A1 2111/4885TP53 3278/4885CYP3A4 1876/4885
US-20100137376-A1 AMIDE COMPOUND AND METHOD FOR CONTROLLING PLANT DISEASE USING THE SAME NAAA, NAT1, SAT1 ALDH1A1 3424/4885TP53 4711/4885CYP3A4 4248/4885
US-20100137445-A1 PLANT DISEASE CONTROL AGENT, AND PLANT DISEASE CONTROL METHOD CBR3, CBR1, HDHD5 ALDH1A1 2677/4885TP53 4733/4885CYP3A4 2352/4885

“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.