SCHEMBL29901658

SCHEMBL29901658

Fc1ccc(OCC(F)(F)COc2ccc(F)cc2Br)c(Br)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.56
MAPT P10636 5/20 0.42
EPAS1 Q99814 1/20 0.40
RAB9A P51151 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
NPC1 O15118 2/20 0.39
KDM4E B2RXH2 1/20 0.39
AR P10275 1/20 0.38
ALDH1A1 P00352 3/20 0.36
LMNA P02545 1/20 0.36
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
HPGD P15428 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
GRM2 Q14416 1/20 0.34
POLB P06746 1/20 0.34
PTPN1 P18031 2/20 0.33
NR3C1 P04150 1/20 0.33
F2 P00734 1/20 0.33

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
SCHEMBL24599161 1.00 PKM (0.56) PKMMAPTEPAS1RAB9ASMN1; SMN2
SCHEMBL263774 0.89 PKM (0.56) PKMMAPTEPAS1RAB9ASMN1; SMN2
SCHEMBL1345830 0.81 PKM (0.55) PKMMAPTEPAS1RAB9ASMN1; SMN2
SCHEMBL30338496 0.79 PKM (0.61) PKMMAPTRAB9ASMN1; SMN2NPC1
SCHEMBL21794169 0.79 PKM (0.61) PKMMAPTRAB9ASMN1; SMN2NPC1
SCHEMBL23677862 0.79 PKM (0.61) PKMMAPTRAB9ASMN1; SMN2NPC1
SCHEMBL11841091 0.77 PKM (0.59) PKMMAPTEPAS1RAB9ASMN1; SMN2
SCHEMBL4355667 0.77 PKM (0.59) PKMMAPTRAB9ASMN1; SMN2NPC1
SCHEMBL5987206 0.75 PKM (0.49) PKMMAPTEPAS1RAB9ASMN1; SMN2
SCHEMBL5987213 0.75 PKM (0.49) PKMMAPTEPAS1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230303597-A1 METAL-LIGAND COMPLEX, CATALYST COMPOSITION FOR PREPARING ETHYLENE-BASED POLYMER CONTAINING THE SAME, AND PREPARATION METHOD OF ETHYLENE -BASED POLYMER USING THE SAME SABIC SK NEXLENE COMPANY PTE. LTD. (SG) 2023-09-28 US disclosed
EP-4185593-A1 METAL-LIGAND COMPLEX, CATALYST COMPOSITION FOR PREPARING ETHYLENE-BASED POLYMER CONTAINING THE SAME, AND PREPARATION METHOD OF ETHYLENE-BASED POLYMER USING THE SAME SABIC SK Nexlene Company Pte. Ltd. (SG) 2023-05-31 EP disclosed
WO-2022144650-A1 METAL-LIGAND COMPLEX, CATALYST COMPOSITION FOR PREPARING ETHYLENE-BASED POLYMER CONTAINING THE SAME, AND PREPARATION METHOD OF ETHYLENE-BASED POLYMER USING THE SAME SABIC SK NEXLENE COMPANY PTE. LTD. (SG) 2022-07-07 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-20230303597-A1 METAL-LIGAND COMPLEX, CATALYST COMPOSITION FOR PREPARING ETHYLENE-BASED POLYMER CONTAINING THE SAME, AND PREPARATION METHOD OF ETHYLENE -BASED POLYMER USING THE SAME ETFB, EMC2, ORC3 PKM 1109/4885MAPT 3132/4885EPAS1 2996/4885

“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.