SCHEMBL25835236

SCHEMBL25835236

C[C@@]1(O)CC(=O)C(c2ccccc2)=CC1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.42
DRD2 P14416 1/20 0.42
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
HPGD P15428 2/20 0.37
BACE1 P56817 1/20 0.37
HSD17B3 P37058 1/20 0.37
ALDH1A1 P00352 5/20 0.36
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
LMNA P02545 3/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
BRD4 O60885 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL25835232 0.78 MAOA (0.38) SIGMAR1DRD2RAB9ANPC1MAOA
SCHEMBL6996637 0.71 SIGMAR1 (0.46) SIGMAR1DRD2RAB9ANPC1MAOA
SCHEMBL25836411 0.70 PTPN1 (0.41) ALDH1A1MAPTPTPN1
SCHEMBL27366981 0.68 SIGMAR1 (0.44) SIGMAR1DRD2RAB9ANPC1HPGD
SCHEMBL25834335 0.68 CRHBP (0.42) SIGMAR1RAB9ANPC1MAOAMAOB
SCHEMBL25834647 0.68 MAOA (0.38) SIGMAR1RAB9ANPC1MAOAMAOB
SCHEMBL11073504 0.65
SCHEMBL8902488 0.63 BACE1 (0.46) RAB9ANPC1MAOAMAOBHPGD
SCHEMBL12822665 0.63 POLB (0.51) RAB9ABACE1ALDH1A1MEN1MAPT
SCHEMBL25835259 0.63 POLB (0.51) RAB9ABACE1ALDH1A1MEN1MAPT

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 SIGMAR1 3375/4885DRD2 310/4885RAB9A 425/4885

“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.