SCHEMBL2531784

SCHEMBL2531784

COC(=O)C1=CCCC(C)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 2/20 0.47
LMNA P02545 2/20 0.46
CHRM2 P08172 1/20 0.46
CHRM4 P08173 1/20 0.46
CHRM5 P08912 1/20 0.46
THRB P10828 1/20 0.46
CHRM1 P11229 1/20 0.46
BLM P54132 1/20 0.45
MCOLN3 Q8TDD5 1/20 0.45
KDM4E B2RXH2 4/20 0.36
ALDH1A1 P00352 4/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
KCNH2 Q12809 1/20 0.35
PTPN1 P18031 1/20 0.35
GABRR1 P24046 1/20 0.34

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
SCHEMBL22571128 0.81 CHRM3 (0.47) CHRM3LMNACHRM2CHRM4CHRM5
SCHEMBL13924886 0.81 GABRR1 (0.43) CHRM3LMNACHRM2CHRM4CHRM5
SCHEMBL418069 0.79 CHRM3 (0.45) CHRM3LMNACHRM2CHRM4CHRM5
SCHEMBL2867698 0.79 GABRR1 (0.44) LMNATHRBBLMKMT2AGABRR1
SCHEMBL1786388 0.79 CHRNB2 (0.37) LMNAALDH1A1TSHR
SCHEMBL11203322 0.74 ALDH1A1 (0.30) ALDH1A1MAPTHPGD
Acetic Acid Methyl Ester SCHEMBL4321573 0.73 ALDH1A1 (0.36) LMNAKDM4EALDH1A1NPC1MAPT
SCHEMBL21291474 0.73 CHRM3 (0.36) CHRM3LMNACHRM2CHRM4CHRM5
SCHEMBL13090831 0.71 THRB (0.38) LMNATHRBKDM4EALDH1A1MAPT
SCHEMBL13041392 0.70 CHRM3 (0.40) CHRM3LMNACHRM2CHRM4CHRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9890231-B2 Triarylphosphine or triarylarsine compound, alpha-olefin polymerization catalyst using the compound, ternary copolymer, and production process of alpha-olefin-((meth)acrylic acid)-based copolymer JAPAN POLYETHYLENE CORPORATION (JP) 2018-02-13 US disclosed
US-20160264699-A1 NOVEL TRIARYLPHOSPHINE OR TRIARYLARSINE COMPOUND, ALPHA-OLEFIN POLYMERIZATION CATALYST USING THE COMPOUND, TERNARY COPOLYMER, AND PRODUCTION PROCESS OF ALPHA-OLEFIN -((METH)ACRYLIC ACID)-BASED COPOLYMER JAPAN POLYETHYLENE CORPORATION (JP) 2016-09-15 US disclosed
US-9376459-B2 Triarylphosphine or triarylarsine compound, alpha-olefin polymerization catalyst using the compound, ternary copolymer, and production process of alpha-olefin-((meth)acrylic acid)-based copolymer JAPAN POLYETHYLENE CORPORATION (JP) 2016-06-28 US disclosed
US-20110257351-A1 NOVEL TRIARYLPHOSPHINE OR TRIARYLARSINE COMPOUND, ALPHA-OLEFIN POLYMERIZATION CATALYST USING THE COMPOUND, TERNARY COPOLYMER, AND PRODUCTION PROCESS OF ALPHA-OLEFIN -((METH)ACRYLIC ACID)-BASED COPOLYMER JAPAN POLYPROPYLENE CORPORATION (JP) 2011-10-20 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-20110257351-A1 NOVEL TRIARYLPHOSPHINE OR TRIARYLARSINE COMPOUND, ALPHA-OLEFIN POLYMERIZATION CATALYST USING THE COMPOUND, TERNARY COPOLYMER, AND PRODUCTION PROCESS OF ALPHA-OLEFIN -((METH)ACRYLIC ACID)-BASED COPOLYMER AS3MT, ATR, ALK CHRM3 1413/4885LMNA 4872/4885CHRM2 1488/4885

“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.