SCHEMBL25835232

SCHEMBL25835232

O=C1C[C@](O)(c2ccccc2)C(=O)C=C1c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
BACE1 P56817 2/20 0.36
HSD17B3 P37058 1/20 0.36
SIGMAR1 Q99720 5/20 0.35
DRD2 P14416 2/20 0.35
ALDH1A1 P00352 2/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
POLB P06746 1/20 0.33
GPR55 Q9Y2T6 1/20 0.33
PTPRC P08575 1/20 0.33
PTPRF P10586 1/20 0.33
PTPN1 P18031 1/20 0.33
CDC25B P30305 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL25835236 0.78 SIGMAR1 (0.42) MAOAMAOBBACE1HSD17B3SIGMAR1
SCHEMBL25835313 0.67 ALDH1A1 (0.47) BACE1ALDH1A1POLBRAB9A
SCHEMBL25835212 0.66 CRHBP (0.44) MAOAMAOBBACE1HSD17B3CRHBP
SCHEMBL25834646 0.66 CRHBP (0.44) MAOAMAOBBACE1HSD17B3CRHBP
SCHEMBL25834334 0.65 CRHBP (0.57) MAOAMAOBBACE1HSD17B3SIGMAR1
SCHEMBL8902488 0.62 BACE1 (0.46) MAOAMAOBBACE1HSD17B3ALDH1A1
SCHEMBL22438572 0.62 BACE1 (0.41) BACE1ALDH1A1POLB
SCHEMBL3635780 0.61 MEN1 (0.47) ALDH1A1HDAC1HDAC2POLBGPR55
SCHEMBL28451545 0.61 ALDH1A1 (0.42) BACE1ALDH1A1
SCHEMBL449557 0.60 CYP2C9 (0.45) ALDH1A1HDAC1HDAC2POLBGPR55

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 MAOA 44/4885MAOB 90/4885BACE1 608/4885

“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.