SCHEMBL4093274

SCHEMBL4093274

O=C(O)/C=C/C=C(\Br)c1cccc(C(F)(F)F)c1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.53
MAOB P27338 1/20 0.51
SRD5A2 P31213 1/20 0.49
ALDH1A1 P00352 3/20 0.48
LMNA P02545 3/20 0.47
KDM4E B2RXH2 1/20 0.46
KCNK3 O14649 1/20 0.45
NPSR1 Q6W5P4 1/20 0.43
P2RX1 P51575 1/20 0.43
POLB P06746 1/20 0.43
HPGD P15428 1/20 0.43
KAT6A Q92794 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL4093280 1.00 CES2 (0.53) CES2MAOBSRD5A2ALDH1A1LMNA
SCHEMBL4093278 1.00 CES2 (0.53) CES2MAOBSRD5A2ALDH1A1LMNA
SCHEMBL10399267 0.85 CES2 (0.56) CES2MAOBSRD5A2ALDH1A1LMNA
SCHEMBL3941071 0.85 CES2 (0.56) CES2MAOBSRD5A2ALDH1A1LMNA
SCHEMBL3940143 0.85 CES2 (0.56) CES2MAOBSRD5A2ALDH1A1LMNA
SCHEMBL3944597 0.83 MAOB (0.55) CES2MAOBSRD5A2ALDH1A1LMNA
SCHEMBL3944593 0.83 MAOB (0.55) CES2MAOBSRD5A2ALDH1A1LMNA
SCHEMBL3940626 0.82 NR4A1 (0.49) CES2MAOBSRD5A2
SCHEMBL3939814 0.82 NR4A1 (0.49) CES2MAOBSRD5A2
SCHEMBL3940623 0.82 NR4A1 (0.49) CES2MAOBSRD5A2

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-20090203667-A1 PENTADIENAMIDE DERIVATIVES KYOWA HAKKO KIRIN CO., LTD. (JP) 2009-08-13 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-20090203667-A1 PENTADIENAMIDE DERIVATIVES PRMT1, REN, NGLY1 CES2 3693/4885MAOB 747/4885SRD5A2 798/4885

“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.