SCHEMBL211501

SCHEMBL211501

CCCC/C=N/OC(C)=O

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
TSHR P16473 1/20 0.36
CES2 O00748 1/20 0.35
FAAH O00519 4/20 0.34
SOAT1 P35610 2/20 0.34
F7 P08709 1/20 0.34
F3 P13726 1/20 0.34
MEN1 O00255 1/20 0.34
TP53 P04637 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 1/20 0.34
ATM Q13315 1/20 0.33
MIF P14174 1/20 0.33
CNR1 P21554 1/20 0.32
CES1 P23141 1/20 0.32
PTGS2 P35354 1/20 0.32
KDM4E B2RXH2 2/20 0.32

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
SCHEMBL211502 1.00 ALDH1A1 (0.40) ALDH1A1TSHRCES2FAAHSOAT1
SCHEMBL212753 0.94 FAAH (0.41) ALDH1A1CES2FAAHSOAT1MEN1
SCHEMBL212752 0.94 FAAH (0.41) ALDH1A1CES2FAAHSOAT1MEN1
SCHEMBL215521 0.92 FAAH (0.44) CES2FAAHSOAT1MEN1TP53
SCHEMBL215177 0.92 FAAH (0.44) CES2FAAHSOAT1MEN1TP53
SCHEMBL215176 0.92 FAAH (0.44) CES2FAAHSOAT1MEN1TP53
SCHEMBL215520 0.92 FAAH (0.44) CES2FAAHSOAT1MEN1TP53
SCHEMBL2051976 0.89 ALDH1A1 (0.30) ALDH1A1
SCHEMBL2051006 0.89 ALDH1A1 (0.30) ALDH1A1
SCHEMBL2051975 0.89 ALDH1A1 (0.30) ALDH1A1

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 ALDH1A1 4162/4885TSHR 4424/4885CES2 1775/4885
US-20170130028-A1 RUBBER COMPOSITION AND VULCANIZATION AID CCNA1, RCN1, RER1 ALDH1A1 4162/4885TSHR 4424/4885CES2 1775/4885

“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.