SCHEMBL25835262

SCHEMBL25835262

C[C@@]1(O)CC(=O)c2cc(Cl)ccc2C1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 2/20 0.42
PPOX P50336 1/20 0.42
S100A4 P26447 2/20 0.41
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
HSP90AA1 P07900 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
MAOB P27338 1/20 0.36
VHL P40337 1/20 0.36
ELOC Q15369 1/20 0.36
ELOB Q15370 1/20 0.36

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
SCHEMBL29405349 0.81 METAP1 (0.41) PGRPPOXS100A4CES1PDK2
SCHEMBL25835264 0.78 CA1 (0.61) MEN1KMT2AKDM4EALDH1A1CA1
SCHEMBL12822665 0.77 POLB (0.51) MEN1KMT2AHSP90AA1KDM4EALDH1A1
SCHEMBL25835259 0.77 POLB (0.51) MEN1KMT2AHSP90AA1KDM4EALDH1A1
SCHEMBL11139458 0.72 S100A4 (0.52) PPOXS100A4RXFP1HSP90AA1ALDH1A1
SCHEMBL25835261 0.71 CA1 (0.61) MEN1KMT2AKDM4EALDH1A1CA1
SCHEMBL26650123 0.70 PGR (0.56) PGRPPOXS100A4MEN1KMT2A
SCHEMBL192717 0.70 PGR (0.69) PGRPPOXS100A4MEN1KMT2A
SCHEMBL23376900 0.69 MEN1 (0.49) PGRPPOXMEN1KMT2ARXFP1
SCHEMBL25834656 0.69 PPOX (0.41) PPOXS100A4HSP90AA1ALDH1A1CA1

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 PGR 3160/4885PPOX 23/4885S100A4 3797/4885

“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.