SCHEMBL25854656

SCHEMBL25854656

C=C1COc2cc(F)c(F)cc2C1[C@H](C)C(=O)OCC

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.32
ATM Q13315 1/20 0.31
PPOX P50336 1/20 0.30
LMNA P02545 1/20 0.30
MEN1 O00255 1/20 0.30
TP53 P04637 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
MAPK1 P28482 1/20 0.30
CYP2C19 P33261 1/20 0.30
KMT2A Q03164 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL22397032 0.60 ATM (0.48) ALDH1A1ATMLMNAKMT2A
SCHEMBL28926885 0.59 CYP1A2 (0.45) ALDH1A1LMNAMEN1CYP1A2CYP2C19
SCHEMBL29617345 0.59 CYP1A2 (0.45) ALDH1A1LMNAMEN1CYP1A2CYP2C19
SCHEMBL25577858 0.58 L3MBTL1 (0.54) ALDH1A1PPOXLMNAMEN1TP53
SCHEMBL5208842 0.58 L3MBTL1 (0.54) ALDH1A1PPOXLMNAMEN1TP53
SCHEMBL25577860 0.58 L3MBTL1 (0.54) ALDH1A1PPOXLMNAMEN1TP53
SCHEMBL6904784 0.56 RORC (0.44) ALDH1A1LMNAMEN1TP53CYP1A2
SCHEMBL28715952 0.56 TRPM8 (0.35) ALDH1A1MEN1CYP3A4CYP2C19KMT2A
SCHEMBL809417 0.56 CYP2D6 (0.42) ALDH1A1ATMLMNACYP3A4CYP2C19
SCHEMBL11815677 0.56 ALDH1A1 (0.43) ALDH1A1MEN1KMT2A

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-20230227437-A1 IMMUNOMODULATOR HITGEN INC (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-20230227437-A1 IMMUNOMODULATOR IL17A, IL2, IL2RA ALDH1A1 261/4885ATM 4356/4885PPOX 2713/4885

“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.