SCHEMBL25534375

SCHEMBL25534375

CC(C)c1cc(F)c(F)cc1C=O

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TYR P14679 2/20 0.38
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
ERN1 O75460 5/20 0.38
ALDH1A1 P00352 3/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
EIF4A3 P38919 1/20 0.32
KDM4E B2RXH2 2/20 0.31
TSHR P16473 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
PTPN1 P18031 1/20 0.31
GABRA1 P14867 1/20 0.30
GABRB2 P47870 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
SCHEMBL22302453 0.85 TYR (0.43) TYRHSP90AA1HSP90AB1ERN1ALDH1A1
SCHEMBL12413853 0.84 EIF4A3 (0.38) TYRHSP90AA1HSP90AB1ERN1ALDH1A1
SCHEMBL29818615 0.83 TYR (0.42) TYRHSP90AA1HSP90AB1ERN1ALDH1A1
SCHEMBL13220718 0.77 CA1 (0.39) EIF4A3TSHRGABRA1GABRB2
SCHEMBL23257196 0.77 ALDH1A1 (0.36) TYRERN1ALDH1A1KDM4ETSHR
SCHEMBL8830136 0.77 TYR (0.43) TYRHSP90AA1HSP90AB1ERN1ALDH1A1
SCHEMBL84113 0.77 KDM4E (0.42) TYRHSP90AA1HSP90AB1ERN1ALDH1A1
SCHEMBL18319085 0.75 ALDH1A1 (0.35) TYRERN1ALDH1A1SMN1; SMN2TSHR
SCHEMBL650978 0.74 ERN1 (0.50) ERN1ALDH1A1KDM4ETSHRTDP1
SCHEMBL11698528 0.74 LMNA (0.39) TYRHSP90AA1HSP90AB1ERN1ALDH1A1

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-20230159529-A1 AROMATIC COMPOUND AND APPLICATION THEREOF IN ANTITUMOR DRUG SHANGHAI ZHEYE BIOTECHNOLOGY CO., LTD. (CN) 2023-05-25 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-20230159529-A1 AROMATIC COMPOUND AND APPLICATION THEREOF IN ANTITUMOR DRUG TYR, APC, TP53 TYR 1/4885HSP90AA1 1546/4885HSP90AB1 1512/4885

“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.