SCHEMBL20207372

SCHEMBL20207372

CC(C)C(=O)CC(O)(CC(=O)O)C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.65
KDM4E B2RXH2 3/20 0.42
TSHR P16473 2/20 0.42
MAPT P10636 2/20 0.42
LMNA P02545 2/20 0.42
ALOX15 P16050 1/20 0.42
HMGCR P04035 1/20 0.41
CHRM1 P11229 1/20 0.41
TBXA2R P21731 1/20 0.41
ADRA1A P35348 1/20 0.41
CYP2D6 P10635 2/20 0.39
CYP2C19 P33261 1/20 0.39
HIF1A Q16665 1/20 0.39
SLC13A5 Q86YT5 6/20 0.38
CPT2 P23786 1/20 0.38
ACLY P53396 1/20 0.38
MEN1 O00255 1/20 0.37
CYP1A2 P05177 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL10308376 0.93 ALDH1A1 (0.52) ALDH1A1KDM4ETSHRMAPTLMNA
Citric Acid SCHEMBL9837414 0.86 ALDH1A1 (0.71) ALDH1A1KDM4ETSHRMAPTLMNA
SCHEMBL10308564 0.85 ALDH1A1 (0.44) ALDH1A1KDM4ETSHRMAPTLMNA
SCHEMBL10308378 0.85 ALDH1A1 (0.44) ALDH1A1KDM4ETSHRMAPTLMNA
SCHEMBL10308377 0.85 ALDH1A1 (0.44) ALDH1A1KDM4ETSHRMAPTLMNA
SCHEMBL10308674 0.85 ALDH1A1 (0.44) ALDH1A1KDM4ETSHRMAPTLMNA
Citric Acid SCHEMBL2199115 0.84 ALDH1A1 (0.75) ALDH1A1KDM4ETSHRMAPTLMNA
Citric Acid SCHEMBL28560793 0.84 ALDH1A1 (0.75) ALDH1A1KDM4ETSHRMAPTLMNA
Citric Acid SCHEMBL19857247 0.83 ALDH1A1 (0.65) ALDH1A1KDM4ETSHRMAPTLMNA
Citric Acid SCHEMBL21145087 0.82 ALDH1A1 (0.71) ALDH1A1KDM4ETSHRMAPTLMNA

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-4230619-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF FUNGAL INFECTIONS CELLIX BIO PRIVATE LIMITED (IN) 2023-08-23 EP disclosed
US-11649215-B2 Compositions and methods for the treatment of oral infectious diseases CELLIX BIO PRIVATE LIMITED (IN) 2023-05-16 US disclosed
EP-3581566-A2 COMPOSITIONS AND METHODS FOR THE TREATMENT OF FUNGAL INFECTIONS CELLIX BIO PRIVATE LIMITED (IN) 2019-12-18 EP disclosed
WO-2018096497-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF FUNGAL INFECTIONS CELLIX BIO PRIVATE LIMITED (IN) 2018-05-31 WO 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-11649215-B2 Compositions and methods for the treatment of oral infectious diseases SI, HBG1, HBG2 ALDH1A1 3560/4885KDM4E 4178/4885TSHR 2164/4885

“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.