SCHEMBL25834355

SCHEMBL25834355

C[C@@H]1C(=O)c2ccccc2C(=O)[C@@]1(O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.54
CRHR2 Q13324 1/20 0.54
ALDH1A1 P00352 5/20 0.44
MAPK1 P28482 3/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
ALOX12 P18054 2/20 0.44
RECQL P46063 2/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
TSHR P16473 1/20 0.44
CASP1 P29466 1/20 0.44
CA7 P43166 1/20 0.44
BACE1 P56817 1/20 0.44
CA9 Q16790 1/20 0.44
EHMT2 Q96KQ7 1/20 0.44
MAPT P10636 8/20 0.43
RAB9A P51151 2/20 0.43
GAA P10253 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
LMNA P02545 2/20 0.41

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
SCHEMBL25834638 0.81 ALDH1A1 (0.45) CRHBPCRHR2ALDH1A1MAPK1L3MBTL1
SCHEMBL25834341 0.77 ALDH1A1 (0.48) ALDH1A1MAPK1L3MBTL1ALOX12RECQL
SCHEMBL25834356 0.73 MEN1 (0.46) CRHBPCRHR2ALDH1A1MAPK1L3MBTL1
SCHEMBL25834681 0.73 MEN1 (0.46) CRHBPCRHR2ALDH1A1MAPK1L3MBTL1
SCHEMBL25834684 0.72 MAPT (0.51) ALDH1A1MAPK1CA1CA2CA7
SCHEMBL25835314 0.72 MAPT (0.51) ALDH1A1MAPK1CA1CA2CA7
SCHEMBL25834348 0.71 ALDH1A1 (0.42) ALDH1A1MAPK1L3MBTL1ALOX12RECQL
SCHEMBL7257013 0.70 CRHBP (0.72) CRHBPCRHR2ALDH1A1CYP1A2CYP3A4
SCHEMBL25834688 0.69 MEN1 (0.45) ALDH1A1MAPK1L3MBTL1ALOX12RECQL
SCHEMBL25834334 0.69 CRHBP (0.57) CRHBPCRHR2ALDH1A1BACE1CYP1A2

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 2001/4885ALDH1A1 323/4885

“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.