SCHEMBL212974

SCHEMBL212974

CCCCC(CCCC)=NOC(C)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 6/20 0.43
CES2 O00748 5/20 0.42
ALDH1A1 P00352 5/20 0.41
TP53 P04637 1/20 0.39
CA1 P00915 1/20 0.38
AKR1B1 P15121 1/20 0.34
HSP90AA1 P07900 1/20 0.34
PPARG P37231 4/20 0.33
PPARD Q03181 4/20 0.33
PPARA Q07869 4/20 0.33
TSHR P16473 3/20 0.33
GPR84 Q9NQS5 3/20 0.33
HDAC11 Q96DB2 3/20 0.33
TDP1 Q9NUW8 2/20 0.33
SLC22A6 Q4U2R8 1/20 0.33
SLC22A8 Q8TCC7 1/20 0.33
TLR2 O60603 1/20 0.33
MEN1 O00255 1/20 0.33
ESR1 P03372 1/20 0.33
FABP4 P15090 1/20 0.33

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
SCHEMBL214902 0.92 CES1 (0.40) CES1CES2ALDH1A1TP53CA1
SCHEMBL214903 0.92 CES1 (0.40) CES1CES2ALDH1A1TP53CA1
SCHEMBL213415 0.89 ALDH1A1 (0.40) CES1CES2ALDH1A1TSHRTDP1
SCHEMBL17257247 0.86 CES1 (0.37) CES1CES2ALDH1A1TP53TSHR
SCHEMBL17257250 0.86 CES1 (0.37) CES1CES2ALDH1A1TP53TSHR
SCHEMBL213857 0.86 HSP90AA1 (0.44) CES1CES2ALDH1A1AKR1B1HSP90AA1
SCHEMBL213856 0.86 HSP90AA1 (0.44) CES1CES2ALDH1A1AKR1B1HSP90AA1
SCHEMBL18843392 0.85 CES1 (0.35) CES1CES2ALDH1A1TP53CA1
SCHEMBL17256977 0.85 TSHR (0.39) CES1CES2ALDH1A1HSP90AA1TSHR
SCHEMBL17256974 0.85 TSHR (0.39) CES1CES2ALDH1A1HSP90AA1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120077941-A1 POLYMERS FUNCTIONALIZED WITH PROTECTED OXIME COMPOUNDS BRIDGESTONE CORPORATION (JP) 2012-03-29 US claimed
US-8088868-B2 oximation of cojugated homopolymers formed by addtion polymerization of conjugated diene monomer in the presence lanthanide copmpounds as polymerization catalysts; polymers used in the manufacture of tires having reduced hysteresis BRIDGESTONE CORPORATION (JP) 2012-01-03 US claimed
US-20080146745-A1 POLYMERS FUNCTIONALIZED WITH PROTECTED OXIME COMPOUNDS BRIDGESTONE CORPORATION (JP) 2008-06-19 US claimed
US-10287419-B2 Rubber composition and vulcanization aid SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2019-05-14 US disclosed
US-20170130028-A1 RUBBER COMPOSITION AND VULCANIZATION AID SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-05-11 US disclosed
US-20170130028-A1 RUBBER COMPOSITION AND VULCANIZATION AID SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-05-11 US disclosed
US-8541509-B2 Polymers functionalized with protected oxime compounds BRIDGESTONE CORPORATION (JP) 2013-09-24 US disclosed
US-20120077941-A1 POLYMERS FUNCTIONALIZED WITH PROTECTED OXIME COMPOUNDS BRIDGESTONE CORPORATION (JP) 2012-03-29 US disclosed
US-8088868-B2 oximation of cojugated homopolymers formed by addtion polymerization of conjugated diene monomer in the presence lanthanide copmpounds as polymerization catalysts; polymers used in the manufacture of tires having reduced hysteresis BRIDGESTONE CORPORATION (JP) 2012-01-03 US disclosed
US-20080146745-A1 POLYMERS FUNCTIONALIZED WITH PROTECTED OXIME COMPOUNDS BRIDGESTONE CORPORATION (JP) 2008-06-19 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 (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-10287419-B2 Rubber composition and vulcanization aid CCNA1, RCN1, RER1 CES1 1418/4885CES2 1775/4885ALDH1A1 4162/4885
US-20170130028-A1 RUBBER COMPOSITION AND VULCANIZATION AID CCNA1, RCN1, RER1 CES1 1418/4885CES2 1775/4885ALDH1A1 4162/4885

“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.