SCHEMBL13664194

SCHEMBL13664194

CCCCOc1cc(C(=O)OC)c(-c2c(C(=O)OC)cc(OCCCC)c(OCCCC)c2OCCCC)c(OCCCC)c1OCCCC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
PLA2G2A P14555 2/20 0.40
HTT P42858 2/20 0.40
TP53 P04637 2/20 0.40
GAA P10253 2/20 0.40
TSHR P16473 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
NPSR1 Q6W5P4 2/20 0.39
HSP90AA1 P07900 1/20 0.39
MAPT P10636 1/20 0.39
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39

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
SCHEMBL13664126 0.85 THRA (0.43) KDM4EALDH1A1HPGDL3MBTL1CYP1A2
SCHEMBL11928959 0.84 TP53 (0.47) PLA2G2ATP53TSHRTHRATHRB
SCHEMBL11928957 0.83 TDP1 (0.49) KDM4EALDH1A1SMN1; SMN2HTTGAA
SCHEMBL28715731 0.81 MAOA (0.53) KDM4EALDH1A1HPGDL3MBTL1MAOA
SCHEMBL13664208 0.81 TSHR (0.49) KDM4EALDH1A1SMN1; SMN2TP53TSHR
SCHEMBL20415948 0.80 ALDH1A1 (0.48) KDM4EALDH1A1HPGDL3MBTL1CYP1A2
SCHEMBL17934383 0.80 L3MBTL1 (0.46) KDM4EALDH1A1HPGDL3MBTL1CYP1A2
SCHEMBL7997525 0.80 SLC6A5 (0.50) MAPTSLC6A5CASP1
SCHEMBL16482751 0.78 ALDH1A1 (0.44) KDM4EALDH1A1HPGDL3MBTL1CYP1A2
SCHEMBL11929031 0.78 TSHR (0.49) ALDH1A1SMN1; SMN2HTTGAATSHR

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 2 patents. 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
EP-1870403-A1 OPTICALLY ACTIVE QUATERNARY AMMONIUM SALT HAVING AXIAL ASYMMETRY AND PROCESS FOR PRODUCING -AMINO ACID AND DERIVATIVE THEREOF WITH THE SAME NAGASE & COMPANY, LTD. (JP) 2007-12-26 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 (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 KDM4E 1823/4885ALDH1A1 837/4885HPGD 4464/4885

“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.