SCHEMBL31745296

SCHEMBL31745296

CCOC(=O)c1nc2cccc(C(=O)O)c2o1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.50
CYP1A2 P05177 1/20 0.45
TSHR P16473 1/20 0.45
ESR1 P03372 2/20 0.44
ESR2 Q92731 1/20 0.44
KMT2A Q03164 3/20 0.44
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MAPK10 P53779 1/20 0.44
CDC25B P30305 2/20 0.44
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
TARBP2 Q15633 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
CDC25A P30304 1/20 0.41

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
SCHEMBL9757020 0.85 FAAH (0.53) CYP1A2TSHRKMT2AKDM4EALDH1A1
SCHEMBL9757062 0.83 MAOA (0.54) CYP1A2ESR1ESR2KMT2AKDM4E
SCHEMBL14897791 0.82 ALDH1A1 (0.48) CYP1A2TSHRKMT2AKDM4EALDH1A1
SCHEMBL31745175 0.82 CYP1A2 (0.46) CYP1A2TSHRKMT2AKDM4EALDH1A1
SCHEMBL9757082 0.80 ELANE (0.44) CYP1A2KMT2AKDM4EHSD17B10MAOA
SCHEMBL2431481 0.79 ALDH1A1 (0.57) CYP1A2TSHRESR1ESR2KMT2A
SCHEMBL9757218 0.78 ALDH1A1 (0.43) CYP1A2KDM4EALDH1A1MAPTHPGD
SCHEMBL6999251 0.78 ELANE (0.60) KMT2AALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL31745123 0.78 ALDH1A1 (0.47) CYP1A2ESR1KMT2AKDM4EALDH1A1
SCHEMBL28392998 0.77 XDH (0.51) TSHRKMT2AKDM4EALDH1A1HPGD

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
EP-4667461-A2 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PARKINSON S AND GAUCHER DISEASE Children's Hospital Medical Center (US) 2025-12-24 EP disclosed
US-20250382274-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PARKINSON'S AND GAUCHER DISEASE CHILDRENS HOSPITAL MED CT (US) 2025-12-18 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-20250382274-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PARKINSON'S AND GAUCHER DISEASE GBA1, GAA, GBA2 DHODH 517/4885CYP1A2 644/4885TSHR 4231/4885

“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.