SCHEMBL3765207

SCHEMBL3765207

Cc1ccccc1/C=C(/C=O)c1cccc(F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
ALDH1A1 P00352 2/20 0.41
PARP1 P09874 1/20 0.40
POLB P06746 2/20 0.39
PTGS1 P23219 2/20 0.39
PTGS2 P35354 2/20 0.39
GAA P10253 1/20 0.39
RELA Q04206 1/20 0.39
RAB9A P51151 4/20 0.39
NPC1 O15118 3/20 0.39
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38

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
SCHEMBL3765212 1.00 TSHR (0.43) TSHRCES2CES1ALDH1A1PARP1
SCHEMBL9682661 0.83 ALDH1A1 (0.44) TSHRCES2CES1ALDH1A1POLB
SCHEMBL9724966 0.83 ALDH1A1 (0.44) TSHRCES2CES1ALDH1A1POLB
SCHEMBL9682656 0.83 ALDH1A1 (0.44) TSHRCES2CES1ALDH1A1POLB
SCHEMBL27575136 0.77 CES2 (0.53) CES2CES1ALDH1A1PARP1POLB
SCHEMBL13002176 0.73 CES2 (0.52) TSHRCES2CES1PARP1POLB
SCHEMBL11159920 0.72 POLB (0.67) TSHRCES2CES1PARP1POLB
SCHEMBL11159914 0.72 POLB (0.67) TSHRCES2CES1PARP1POLB
SCHEMBL10399039 0.70 NFE2L2 (0.56) CES2CES1ALDH1A1GAARELA
SCHEMBL10399043 0.70 NFE2L2 (0.56) CES2CES1ALDH1A1GAARELA

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-20100311581-A1 Azolylmethyloxiranes, use Thereof and Agents Containing the Same BASF SE (DE) 2010-12-09 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-20100311581-A1 Azolylmethyloxiranes, use Thereof and Agents Containing the Same XDH, DAO, DHODH TSHR 3543/4885CES2 386/4885CES1 810/4885

“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.