SCHEMBL3752312

SCHEMBL3752312

CC(C(=O)O)N(C(C)C(=O)O)C(C)C(=O)O.O=C(O)CN(CC(=O)O)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.32
TDP1 Q9NUW8 2/20 0.32
EYA2 O00167 1/20 0.32
APP P05067 1/20 0.32
ACE P12821 1/20 0.32
FFAR3 O14843 1/20 0.32
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
CHRM2 P08172 1/20 0.31
ADRA2A P08913 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
DRD1 P21728 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
CYP2C19 P33261 1/20 0.31
ADRA1A P35348 1/20 0.31
DRD3 P35462 1/20 0.31
BLM P54132 1/20 0.31
PMP22 Q01453 1/20 0.31

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
SCHEMBL562965 0.78 TDP1 (0.47) TDP1EYA2APPACEFFAR3
SCHEMBL163127 0.78 TP53 (0.47) CYP1A2FFAR3LMNATSHRTP53
Ammonia Solution, Strong SCHEMBL10538943 0.75 TP53 (0.44) CYP1A2TDP1FFAR3TSHRTP53
SCHEMBL5884014 0.75 TP53 (0.44) CYP1A2FFAR3LMNATSHRTP53
SCHEMBL6047712 0.75 TDP1 (0.31) TDP1EYA2APPACEKDM4E
SCHEMBL15080653 0.73 CA12 (0.48) TDP1EYA2APPACEKDM4E
SCHEMBL22120 0.72 FFAR3 (0.38) CYP1A2TDP1EYA2APPACE
SCHEMBL6320153 0.72 FFAR3 (0.38) CYP1A2TDP1EYA2APPACE
SCHEMBL345564 0.72 FFAR3 (0.38) CYP1A2TDP1EYA2APPACE
SCHEMBL562830 0.72 FFAR3 (0.38) CYP1A2TDP1EYA2APPACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2006315-B1 CATALYST FOR PRODUCING POLYESTER AND METHOD FOR PRODUCING POLYESTER TORAY INDUSTRIES (JP) 2017-11-08 EP disclosed
US-8779082-B2 Catalyst for producing polyester and method for producing polyester TORAY INDUSTRIES, INC. (JP) 2014-07-15 US disclosed
US-20100305296-A1 Catalyst for Producing Polyester and Method for Producing Polyester TORAY INDUSTRIES INC. (JP) 2010-12-02 US disclosed
EP-2006315-A1 CATALYST FOR PRODUCING POLYESTER AND METHOD FOR PRODUCING POLYESTER TORAY INDUSTRIES, INC. (JP) 2008-12-24 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-20100305296-A1 Catalyst for Producing Polyester and Method for Producing Polyester AQP4, PNMT, NEFM CYP1A2 1845/4885TDP1 3998/4885EYA2 4480/4885

“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.