SCHEMBL17050828

SCHEMBL17050828

CC(=O)/C(F)=C/c1ccc(Br)nc1

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 2/20 0.33
GLA P06280 1/20 0.32
POLB P06746 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
TBXAS1 P24557 2/20 0.31
FDFT1 P37268 1/20 0.31
MEN1 O00255 1/20 0.31
S1PR4 O95977 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
S1PR1 P21453 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
AKR1C3 P42330 1/20 0.31
RECQL P46063 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
SCHEMBL17050829 0.85 TBXAS1 (0.33) ALDH1A1KDM4ETBXAS1FDFT1AKR1C3
SCHEMBL17273936 0.79 AKR1C3 (0.53) TBXAS1FDFT1AKR1C3
SCHEMBL31463690 0.78 ABL1 (0.33) FDFT1
SCHEMBL2289800 0.78 ABL1 (0.33) FDFT1
SCHEMBL17050827 0.78 MEN1 (0.33) TDP1MEN1LMNAKMT2A
SCHEMBL6880003 0.75 FDFT1 (0.31) FDFT1
SCHEMBL6879999 0.75 FDFT1 (0.31) FDFT1
SCHEMBL17052214 0.75 CYP1A2 (0.33) FDFT1
SCHEMBL6881208 0.74 FDFT1 (0.30) FDFT1
SCHEMBL6881213 0.74 FDFT1 (0.30) FDFT1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150246938-A1 NOVEL OLEFIN DERIVATIVE SHIONOGI & CO., LTD. (JP) 2015-09-03 US disclosed
US-20150246938-A1 NOVEL OLEFIN DERIVATIVE SHIONOGI & CO., LTD. (JP) 2015-09-03 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-20150246938-A1 NOVEL OLEFIN DERIVATIVE ACSS2, ACACB, ACAT2 ALDH1A1 408/4885KDM4E 2675/4885GLA 4338/4885

“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.