SCHEMBL7609031

SCHEMBL7609031

O=C(O)/C(F)=C\c1ccc(Br)cc1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 2/20 0.45
MAPT P10636 2/20 0.43
MEN1 O00255 1/20 0.43
S1PR4 O95977 1/20 0.43
LMNA P02545 1/20 0.43
S1PR1 P21453 1/20 0.43
MAPK1 P28482 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CYP1A2 P05177 1/20 0.41
GLO1 Q04760 1/20 0.38
TP53 P04637 1/20 0.38
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
CYP1B1 Q16678 1/20 0.38
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL7071605 1.00 AKR1C3 (0.45) AKR1C3MAPTMEN1S1PR4LMNA
SCHEMBL7071603 1.00 AKR1C3 (0.45) AKR1C3MAPTMEN1S1PR4LMNA
SCHEMBL7072532 0.82 NPFFR1 (0.39) AKR1C3TP53
SCHEMBL7072526 0.82 NPFFR1 (0.39) AKR1C3TP53
SCHEMBL7067160 0.81 ALDH1A1 (0.51) AKR1C3MAPTMEN1LMNAKMT2A
SCHEMBL7071034 0.81 ALDH1A1 (0.51) AKR1C3MAPTMEN1LMNAKMT2A
SCHEMBL8387737 0.81 KDM4E (0.53) MEN1KMT2AGLO1KDM4E
SCHEMBL8387734 0.81 KDM4E (0.53) MEN1KMT2AGLO1KDM4E
SCHEMBL211524 0.80 AKR1C3 (0.56) AKR1C3MAPTMEN1LMNAMAPK1
SCHEMBL3716652 0.80 AKR1C3 (0.56) AKR1C3MAPTMEN1LMNAMAPK1

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-20020115669-A1 Oxazolidinone chemotherapeutic agents ABBOTT LABORATORIES 2002-08-22 US disclosed
WO-2002018354-A1 OXAZOLIDINONES AND THEIR USE AS ANTIBACTERIAL AGENTS ABBOTT LABORATORIES (US) 2002-03-07 WO 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-20020115669-A1 Oxazolidinone chemotherapeutic agents TOP1, OXA1L, TK1 AKR1C3 890/4885MAPT 2174/4885MEN1 2363/4885

“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.