SCHEMBL25834502

SCHEMBL25834502

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

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
CHRNA1 P02708 1/20 0.36
CHRNG P07510 1/20 0.36
CHRNB1 P11230 1/20 0.36
CHRNB2 P17787 1/20 0.36
SLC6A2 P23975 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA4 P43681 1/20 0.36
SLC6A3 Q01959 1/20 0.36
CHRND Q07001 1/20 0.36
CCR2 P41597 1/20 0.34
KMT2A Q03164 1/20 0.30
MAOB P27338 3/20 0.30
MAOA P21397 1/20 0.30

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
SCHEMBL25834336 0.85 SLC6A2 (0.34) CRHBPCRHR2CHRNA1CHRNGCHRNB1
SCHEMBL25834330 0.76 CRHBP (0.32) CRHBPCRHR2
SCHEMBL10777316 0.76 CRHBP (0.32) CRHBPCRHR2
SCHEMBL25834648 0.74 ALDH1A1 (0.32) CRHBPCRHR2
SCHEMBL25835234 0.74 ALDH1A1 (0.32) CRHBPCRHR2
SCHEMBL25834334 0.68 CRHBP (0.57) CRHBPCRHR2KMT2AMAOBMAOA
SCHEMBL25834602 0.65 PTPN1 (0.30)
SCHEMBL25834356 0.62 MEN1 (0.46) CRHBPCRHR2KMT2A
SCHEMBL25834331 0.60 POLB (0.32) CRHBPCRHR2
SCHEMBL11846550 0.59 CA1 (0.46) CRHBPCRHR2KMT2AMAOBMAOA

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 CRHBP 3490/4885CRHR2 2001/4885CHRNA1 3711/4885

“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.