SCHEMBL22921696

SCHEMBL22921696

CC1CC(O)(CC(=O)O)CCO1

nearest known ligand 0.40

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 19/20 0.40
CYP1A2 P05177 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
SCHEMBL22921247 0.79 AKR1B1 (0.36) AKR1B1CYP1A2
SCHEMBL18896131 0.71 AKR1B1 (0.40) AKR1B1CYP1A2
SCHEMBL1966558 0.70 CYP2C19 (0.37) AKR1B1CYP1A2
SCHEMBL12092610 0.69 AKR1B1 (0.48) AKR1B1
SCHEMBL1106771 0.69 AKR1B1 (0.48) AKR1B1
SCHEMBL5009236 0.68 CYP2C19 (0.31) AKR1B1
SCHEMBL27683964 0.67 CYP1A2 (0.48) AKR1B1CYP1A2
SCHEMBL2557239 0.67 CYP2C19 (0.34) AKR1B1CYP1A2
Hydrochloric Acid SCHEMBL9981621 0.67 GRM4 (0.44) CYP1A2
SCHEMBL3019549 0.66

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210024447-A1 FUNCTIONALIZED LONG-CHAIN HYDROCARBON MONO- AND DI-CARBOXYLIC ACIDS AND THEIR USE FOR THE PREVENTION OR TREATMENT OF DISEASE ESPERVITA THERAPEUTICS, INC. 2021-01-28 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-20210024447-A1 FUNCTIONALIZED LONG-CHAIN HYDROCARBON MONO- AND DI-CARBOXYLIC ACIDS AND THEIR USE FOR THE PREVENTION OR TREATMENT OF DISEASE CPT1A, PPARG, PC AKR1B1 154/4885CYP1A2 449/4885

“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.