SCHEMBL25834648

SCHEMBL25834648

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

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
CRHBP P24387 1/20 0.31
CRHR2 Q13324 1/20 0.31
HTR6 P50406 1/20 0.31

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
SCHEMBL25835234 1.00 ALDH1A1 (0.32) ALDH1A1CRHBPCRHR2HTR6
SCHEMBL25834336 0.89 SLC6A2 (0.34) CRHBPCRHR2
SCHEMBL25834502 0.74 CRHBP (0.42) CRHBPCRHR2
SCHEMBL25834602 0.70 PTPN1 (0.30)
SCHEMBL25835315 0.69 MEN1 (0.45) ALDH1A1
SCHEMBL25834688 0.69 MEN1 (0.45) ALDH1A1
SCHEMBL25834646 0.67 CRHBP (0.44) CRHBPCRHR2
SCHEMBL25835212 0.67 CRHBP (0.44) CRHBPCRHR2
SCHEMBL25834330 0.59 CRHBP (0.32) CRHBPCRHR2
SCHEMBL13995786 0.58 PTPN1 (0.33)

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 2 patents. 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
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 ALDH1A1 323/4885CRHBP 3490/4885CRHR2 2001/4885

“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.