SCHEMBL25835335

SCHEMBL25835335

O=C1c2ccccc2C(=O)[C@@](O)(c2ccc(C(F)(F)F)cc2)[C@@H]1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.48
KDM4E B2RXH2 1/20 0.48
APAF1 O14727 1/20 0.48
TDP2 O95551 1/20 0.48
NSD2 O96028 1/20 0.48
CASP3 P42574 1/20 0.48
GALK1 P51570 1/20 0.48
BLM P54132 1/20 0.48
KMT2A Q03164 1/20 0.48
SENP8 Q96LD8 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
SENP6 Q9GZR1 1/20 0.48
HIF1A Q16665 2/20 0.37
ALDH1A1 P00352 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
TSHR P16473 1/20 0.37
ALOX12 P18054 1/20 0.37
MAPK1 P28482 1/20 0.37
CASP1 P29466 1/20 0.37

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
SCHEMBL25834779 1.00 MAPT (0.48) MAPTKDM4EAPAF1TDP2NSD2
SCHEMBL25834638 0.83 ALDH1A1 (0.45) MAPTKDM4EAPAF1TDP2NSD2
SCHEMBL25834681 0.82 MEN1 (0.46) MAPTKDM4EAPAF1TDP2NSD2
SCHEMBL25834356 0.82 MEN1 (0.46) MAPTKDM4EAPAF1TDP2NSD2
SCHEMBL25835315 0.81 MEN1 (0.45) MAPTKDM4EAPAF1TDP2NSD2
SCHEMBL25834688 0.81 MEN1 (0.45) MAPTKDM4EAPAF1TDP2NSD2
SCHEMBL25835314 0.77 MAPT (0.51) MAPTKMT2AALDH1A1CA1CA2
SCHEMBL25834684 0.77 MAPT (0.51) MAPTKMT2AALDH1A1CA1CA2
SCHEMBL10584320 0.66 ALDH1A1 (0.48) MAPTAPAF1TDP2NSD2BLM
Fluindarol SCHEMBL2110111 0.66 MAPT (0.61) MAPTKDM4EKMT2AMAPK1MAOA

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 MAPT 736/4885KDM4E 3115/4885APAF1 4047/4885

“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.