SCHEMBL8615436

SCHEMBL8615436

[CH2][Si](C)(C)Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.43
CALM1 P0DP23 1/20 0.41
AOC3 Q16853 2/20 0.41
NR1H2 P55055 1/20 0.39
NR1H3 Q13133 1/20 0.39
TSHR P16473 4/20 0.39
ALDH1A1 P00352 3/20 0.39
IDO1 P14902 1/20 0.38
LOXL2 Q9Y4K0 1/20 0.38
TRPA1 O75762 1/20 0.38
NOS1 P29475 2/20 0.37
NOS2 P35228 2/20 0.37
KDM4E B2RXH2 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPT P10636 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
SCHEMBL8619664 0.78 TP53 (0.44) TP53CALM1AOC3NR1H2NR1H3
SCHEMBL16378246 0.78 TP53 (0.48) TP53CALM1NR1H2NR1H3TSHR
SCHEMBL1107767 0.78 TP53 (0.48) TP53CALM1NR1H2NR1H3TSHR
SCHEMBL231005 0.78 ESR1 (0.56) TP53CALM1NR1H2NR1H3TSHR
SCHEMBL8616442 0.75 TP53 (0.46) TP53CALM1NR1H2NR1H3TSHR
SCHEMBL8620695 0.75 CHRNB2 (0.52) ALDH1A1TDP1
SCHEMBL8517700 0.74 TP53 (0.43) TP53CALM1NR1H2NR1H3TSHR
SCHEMBL8381659 0.74 TP53 (0.43) TP53CALM1NR1H2NR1H3TSHR
SCHEMBL2098666 0.74 TP53 (0.43) TP53CALM1NR1H2NR1H3TSHR
SCHEMBL3406066 0.74 TP53 (0.43) TP53CALM1NR1H2NR1H3TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0363284-B1 Use of peptidase inhibitors for the preparation of medicaments useful for the treatment of strokes MERRELL PHARMA INC (US) 1997-05-14 EP claimed
US-20230132484-A1 STERICALLY HINDERED PHOSPHINE-AMIDE SUPPORTED NICKEL (II) OR PALLADIUM (II) CATALYSTS FOR THE COPOLYMERIZATION OF ETHYLENE AND POLAR COMONOMERS DOW GLOBAL TECHNOLOGIES LLC (US) 2023-05-04 US disclosed
US-20230129371-A1 STERICALLY HINDERED PHOSPHINO-UREA SUPPORTED NICKEL (II) OR PALLADIUM (II) CATALYSTS FOR THE COPOLYMERIZATION OF ETHYLENE AND POLAR COMONOMERS DOW GLOBAL TECHNOLOGIES LLC (US) 2023-04-27 US disclosed
EP-4126991-A1 STERICALLY HINDERED PHOSPHINO-UREA SUPPORTED NICKEL(II) OR PALLADIUM(II) CATALYSTS FOR THE COPOLYMERIZATION OF ETHYLENE AND POLAR COMONOMERS Dow Global Technologies LLC (US) 2023-02-08 EP disclosed
EP-4126992-A1 STERICALLY HINDERED PHOSPHINE-AMIDE SUPPORTED NICKEL(II) OR PALLADIUM(II) CATALYSTS FOR THE COPOLYMERIZATION OF ETHYLENE AND POLAR COMONOMERS Dow Global Technologies LLC (US) 2023-02-08 EP disclosed
WO-2021202722-A1 STERICALLY HINDERED PHOSPHINO-UREA SUPPORTED NICKEL(II) OR PALLADIUM(II) CATALYSTS FOR THE COPOLYMERIZATION OF ETHYLENE AND POLAR COMONOMERS DOW GLOBAL TECHNOLOGIES LLC (US) 2021-10-07 WO disclosed
WO-2021202714-A1 STERICALLY HINDERED PHOSPHINE-AMIDE SUPPORTED NICKEL(II) OR PALLADIUM(II) CATALYSTS FOR THE COPOLYMERIZATION OF ETHYLENE AND POLAR COMONOMERS DOW GLOBAL TECHNOLOGIES LLC (US) 2021-10-07 WO disclosed
EP-0364344-B1 Novel peptidase inhibitors MERRELL PHARMA INC (US) 1998-05-06 EP disclosed
US-5736520-A INHIBITING CALPAIN BY ADMINISTERING A DIPEPTIDE OF THE FORMULA BENZYLCARBONYLOXYVAL-NH-CH(-R2)-CHO WHERE R2 IS THE SIDE CHAIN OF PHE; ANTICARCINOGENIC,-ARTHRITIC AND CARDIOTONIC AGENTS; COAGULANTS; STROKE MERRELL PHARMACEUTICALS INC. (US) 1998-04-07 US disclosed
EP-0363284-B1 Use of peptidase inhibitors for the preparation of medicaments useful for the treatment of strokes MERRELL PHARMA INC (US) 1997-05-14 EP disclosed
EP-0363284-A2 Use of peptidase inhibitors for the preparation of medicaments useful for the treatment of strokes MERRELL PHARMACEUTICALS INC. (US) 1990-04-11 EP 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-20230129371-A1 STERICALLY HINDERED PHOSPHINO-UREA SUPPORTED NICKEL (II) OR PALLADIUM (II) CATALYSTS FOR THE COPOLYMERIZATION OF ETHYLENE AND POLAR COMONOMERS PCNA, NIT2, MCM7 TP53 1570/4885CALM1 4823/4885AOC3 78/4885

“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.