SCHEMBL13664699

SCHEMBL13664699

CCOc1c(O)cc(C=O)c(-c2c(C=O)cc(O)c(OCC)c2OCC)c1OCC

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
LMNA P02545 1/20 0.42
ERN1 O75460 8/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37
GAA P10253 1/20 0.36
TRIM24 O15164 1/20 0.36
TYR P14679 1/20 0.36
TRIM33 Q9UPN9 1/20 0.36
PIM1 P11309 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
TSHR P16473 1/20 0.35
KDM4E B2RXH2 1/20 0.35
TUBB1 Q9H4B7 1/20 0.34

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
SCHEMBL13664124 0.80 LMNA (0.56) ALDH1A1LMNAERN1CYP1A2CYP2C19
SCHEMBL29414405 0.79 ALDH1A1 (0.47) ALDH1A1LMNAERN1CYP1A2CYP2C19
SCHEMBL4657547 0.76 ALDH1A1 (0.49) ALDH1A1LMNAERN1GAATRIM24
SCHEMBL13664493 0.76 CA1 (0.52) ALDH1A1ERN1TRIM24TYRTRIM33
SCHEMBL6699503 0.73 ALDH1A1 (0.57) ALDH1A1LMNAERN1CYP1A2CYP2C19
SCHEMBL27683962 0.72 CA1 (0.57) ALDH1A1LMNAERN1GAATRIM24
SCHEMBL11929032 0.72 TSHR (0.47) ALDH1A1LMNACYP1A2CYP2C19GAA
SCHEMBL31563655 0.71 ALDH1A1 (0.47) ALDH1A1LMNAERN1GAATRIM24
SCHEMBL29084591 0.71 ALDH1A1 (0.47) ALDH1A1LMNAERN1GAATRIM24
SCHEMBL4796390 0.71 CA1 (0.66) ALDH1A1LMNAERN1GAATRIM24

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090270614-A1 OPTICALLY ACTIVE QUATERNARY AMMONIUM SALT HAVING AXIAL ASYMMETRY AND PROCESS FOR PRODUCING ALPHA-AMINO ACID AND DERIVATIVE THEREOF WITH THE SAME NAGASE & CO., LTD. (JP) 2009-10-29 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 (1 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-20090270614-A1 OPTICALLY ACTIVE QUATERNARY AMMONIUM SALT HAVING AXIAL ASYMMETRY AND PROCESS FOR PRODUCING ALPHA-AMINO ACID AND DERIVATIVE THEREOF WITH THE SAME BCAT1, BCAT2, AADAT ALDH1A1 837/4885LMNA 4073/4885ERN1 1858/4885

“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.