SCHEMBL2295306

SCHEMBL2295306

C[CH]C1(C(=O)OCC)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
TSHR P16473 1/20 0.38
POLB P06746 1/20 0.38
LMNA P02545 1/20 0.37
HSD17B10 Q99714 1/20 0.37
OPRM1 P35372 6/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ATM Q13315 1/20 0.36
OPRD1 P41143 3/20 0.36
OPRK1 P41145 3/20 0.36
ALOX15 P16050 2/20 0.36
SLC22A1 O15245 1/20 0.36
SLC6A4 P31645 1/20 0.36
ADRA1A P35348 1/20 0.36
KCNH2 Q12809 1/20 0.36
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
SOAT1 P35610 1/20 0.36

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
SCHEMBL2290174 0.92 SMN1; SMN2 (0.38) ALDH1A1POLBLMNAHSD17B10OPRM1
SCHEMBL2289679 0.92 SMN1; SMN2 (0.41) ALDH1A1POLBLMNAHSD17B10OPRM1
SCHEMBL2289921 0.90 SMN1; SMN2 (0.37) ALDH1A1TSHRPOLBLMNAHSD17B10
SCHEMBL508318 0.83 ALDH1A1 (0.39) ALDH1A1POLBLMNAHSD17B10OPRM1
SCHEMBL1119086 0.81 ATM (0.39) ALDH1A1TSHRPOLBLMNAHSD17B10
Hydrochloric Acid SCHEMBL3834729 0.79 ATM (0.38) ALDH1A1POLBLMNAHSD17B10OPRM1
Acetic Acid SCHEMBL9774420 0.76 ALDH1A1 (0.37) ALDH1A1POLBLMNAHSD17B10OPRM1
SCHEMBL9391965 0.76 ATM (0.39) ALDH1A1POLBLMNAHSD17B10OPRM1
SCHEMBL9391963 0.76 ATM (0.39) ALDH1A1POLBLMNAHSD17B10OPRM1
SCHEMBL1606644 0.75 SMN1; SMN2 (0.41) ALDH1A1POLBLMNAHSD17B10OPRM1

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 2983/4885TSHR 3275/4885POLB 3289/4885
US-20100069499-A1 AMIDE COMPOUND AND USE THEREOF CBR1, CBR3, GBA1 ALDH1A1 2111/4885TSHR 163/4885POLB 3698/4885
US-20100137376-A1 AMIDE COMPOUND AND METHOD FOR CONTROLLING PLANT DISEASE USING THE SAME NAAA, NAT1, SAT1 ALDH1A1 3424/4885TSHR 3394/4885POLB 2785/4885
US-20100137445-A1 PLANT DISEASE CONTROL AGENT, AND PLANT DISEASE CONTROL METHOD CBR3, CBR1, HDHD5 ALDH1A1 2677/4885TSHR 853/4885POLB 3274/4885

“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.