SCHEMBL25834313

SCHEMBL25834313

CC1=C(c2ccc(C)cc2)C(=O)C=CC1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
HPGD P15428 1/20 0.48
ALOX15 P16050 1/20 0.48
CYP2C19 P33261 1/20 0.48
HSD17B10 Q99714 1/20 0.48
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
POLB P06746 1/20 0.39
PTGS2 P35354 4/20 0.38
TDP1 Q9NUW8 3/20 0.38
LMNA P02545 2/20 0.38
MAPT P10636 2/20 0.38
PKM P14618 2/20 0.38
MAPK1 P28482 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HSP90AA1 P07900 1/20 0.38
XBP1 P17861 1/20 0.38
MPI P34949 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL25834311 0.83 PTPRC (0.39) CYP2D6CYP2C9HPGDALOX15CYP2C19
SCHEMBL25834626 0.82 MAOA (0.48) KMT2APTGS2TDP1LMNAMAPT
SCHEMBL25835143 0.79 MAPT (0.59) CYP2D6CYP2C9HPGDCYP2C19MEN1
Hydrochloric Acid SCHEMBL28103558 0.77 MAPT (0.39) HPGDCYP2C19HSD17B10LMNAMAPT
SCHEMBL3786541 0.71 KDM4E (0.66) CYP2D6CYP2C9HPGDALOX15CYP2C19
SCHEMBL4936965 0.70 CYP2D6 (0.62) CYP2D6CYP2C9HPGDALOX15CYP2C19
SCHEMBL13170533 0.70 CYP2D6 (0.62) CYP2D6CYP2C9HPGDALOX15CYP2C19
SCHEMBL49743 0.68 MAOA (0.37) CYP2D6CYP2C9HPGDALOX15CYP2C19
SCHEMBL29644702 0.67 PTGS2 (0.69) CYP2D6CYP2C9HPGDALOX15CYP2C19
SCHEMBL10980169 0.67 PTGS2 (0.53) CYP2D6CYP2C9HPGDALOX15CYP2C19

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 CYP2D6 190/4885CYP2C9 143/4885HPGD 201/4885

“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.