SCHEMBL25501698

SCHEMBL25501698

CC(C)=C(c1cccc(F)c1)c1cccc(F)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.61
CES1 P23141 2/20 0.61
PARP1 P09874 1/20 0.57
HDAC1 Q13547 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
PTGS1 P23219 1/20 0.49
PTGS2 P35354 1/20 0.49
PLA2G7 Q13093 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TSHR P16473 1/20 0.45
KCNK3 O14649 2/20 0.45
ALDH1A1 P00352 2/20 0.45
KCNK9 Q9NPC2 1/20 0.45
KDM4E B2RXH2 1/20 0.45
ACHE P22303 1/20 0.44
LMNA P02545 1/20 0.44

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
SCHEMBL69483 0.82 CES2 (0.68) CES2CES1PARP1HDAC1HDAC6
SCHEMBL12444117 0.82 CES2 (0.68) CES2CES1PARP1HDAC1HDAC6
SCHEMBL8761571 0.81 CES2 (0.60) CES2CES1PARP1HDAC1HDAC6
SCHEMBL22745682 0.80 CES2 (0.54) CES2CES1PARP1HDAC1HDAC6
SCHEMBL16955426 0.79 CES2 (0.58) CES2CES1PARP1HDAC1HDAC6
SCHEMBL22718375 0.78 CES2 (0.76) CES2CES1PARP1HDAC1HDAC6
SCHEMBL6862739 0.77 CES2 (0.56) CES2CES1PARP1HDAC1HDAC6
SCHEMBL17526273 0.77 CES2 (0.56) CES2CES1PARP1HDAC1HDAC6
SCHEMBL28879839 0.77 CES2 (0.56) CES2CES1PARP1HDAC1HDAC6
SCHEMBL29482201 0.77 CES2 (0.61) CES2CES1PARP1HDAC1HDAC6

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-20230146127-A1 3-DIARYLMETHYLENES AND USES THEREOF ATUX ISKAY LLC 2023-05-11 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-20230146127-A1 3-DIARYLMETHYLENES AND USES THEREOF MYC, MYCBP, FOXO1 CES2 4078/4885CES1 4410/4885PARP1 1179/4885

“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.