SCHEMBL4633445

SCHEMBL4633445

O=C(O)C(O)c1ccc(C(F)(F)F)cc1Cl

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 7/20 0.63
FFAR1 O14842 2/20 0.46
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
SORT1 Q99523 1/20 0.42
EEF2K O00418 1/20 0.41
MRGPRX4 Q96LA9 3/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
PPARG P37231 3/20 0.40

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
SCHEMBL4633442 1.00 PDE2A (0.63) PDE2AFFAR1CYP1A2CYP2D6CYP2C9
SCHEMBL16829661 0.87 PDE2A (0.50) PDE2AFFAR1MRGPRX4KDM4EALDH1A1
SCHEMBL7823148 0.83 PDE2A (0.63) PDE2AFFAR1CYP1A2CYP2D6CYP2C9
SCHEMBL6702844 0.81 CES2 (0.51) PDE2AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL6681467 0.81 CES2 (0.51) PDE2AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL8974847 0.81 PDE2A (0.60) PDE2AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL8974843 0.81 PDE2A (0.60) PDE2AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL6676167 0.81 PDE2A (0.47) PDE2ACYP1A2CYP2C19KDM4EALDH1A1
SCHEMBL6681459 0.81 CES2 (0.51) PDE2AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL6679457 0.78 CES2 (0.51) PDE2AKDM4EALDH1A1HPGDHSD17B10

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-20080311636-A1 Method for Producing Optically Active Alpha-Hydroxycarboxylic Acid DAIICHI FINE CHEMICAL CO., LTD. (JP) 2008-12-18 US disclosed
EP-1930441-A1 METHOD FOR PRODUCTION OF OPTICALLY ACTIVE -HYDROXYCARBOXYLIC ACID Daiichi Fine Chemical Co., Ltd. (JP) 2008-06-11 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-20080311636-A1 Method for Producing Optically Active Alpha-Hydroxycarboxylic Acid PCCA, HCAR1, HCAR2 PDE2A 3917/4885FFAR1 613/4885CYP1A2 1097/4885

“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.