SCHEMBL25834700

SCHEMBL25834700

CC1=C(c2ccc(C)cc2)C(=O)[C@H](O)[C@H](O)C1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP2D6 P10635 1/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
POLB P06746 1/20 0.40
PTGS2 P35354 4/20 0.35
PTGS1 P23219 1/20 0.34
CYP1A2 P05177 1/20 0.33
MAPT P10636 1/20 0.33
ESR1 P03372 2/20 0.33
ESR2 Q92731 2/20 0.33
KIF11 P52732 1/20 0.32
LMNA P02545 2/20 0.32
ALDH1A1 P00352 2/20 0.32
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32

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
SCHEMBL25834514 0.87 CYP2C9 (0.40) CYP2C9CYP2C19CYP2D6HPGDALOX15
SCHEMBL25834702 0.85 MEN1 (0.38) MEN1KMT2APTGS2MAPTESR1
SCHEMBL25837780 0.82 ME2 (0.51) MEN1KMT2APTGS2MAPTESR2
SCHEMBL25834515 0.73 HTT (0.36) MEN1KMT2APTGS2MAPTLMNA
SCHEMBL25834786 0.69 CYP2C9 (0.33) CYP2C9CYP2C19CYP2D6HPGDALOX15
SCHEMBL13170533 0.66 CYP2D6 (0.62) CYP2C9CYP2C19CYP2D6HPGDALOX15
SCHEMBL4936965 0.66 CYP2D6 (0.62) CYP2C9CYP2C19CYP2D6HPGDALOX15
SCHEMBL24403759 0.64 MEN1 (0.40) CYP2C9CYP2C19CYP2D6HPGDALOX15
SCHEMBL25834313 0.64 CYP2D6 (0.48) CYP2C9CYP2C19CYP2D6HPGDALOX15
SCHEMBL29644702 0.63 PTGS2 (0.69) CYP2C9CYP2C19CYP2D6HPGDALOX15

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-20230227393-A1 IRON CATALYZED HIGHLY ENANTIOSELECTIVE CIS-DIHYDROXYLATION OF QUINONES THE UNIVERSITY OF HONG KONG (CN) 2023-07-20 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-20230227393-A1 IRON CATALYZED HIGHLY ENANTIOSELECTIVE CIS-DIHYDROXYLATION OF QUINONES NFE2L2, DUOX1, DUOX2 CYP2C9 143/4885CYP2C19 127/4885CYP2D6 190/4885

“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.