SCHEMBL4478710

SCHEMBL4478710

CCC(C)C1=Cc2c(cccc2-c2cccc3ccccc23)[CH]1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.34
PPARA Q07869 5/20 0.34
PTPN1 P18031 1/20 0.34
ALOX5 P09917 1/20 0.34
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALOX15 P16050 1/20 0.31
CNR2 P34972 1/20 0.31
HTR7 P34969 1/20 0.30
CHRNB4 P30926 1/20 0.30
CHRNA3 P32297 1/20 0.30
CHRNA7 P36544 1/20 0.30
HTR2C P28335 1/20 0.30
CYP11B1 P15538 1/20 0.30
CYP11B2 P19099 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
SCHEMBL27478496 0.95 PPARG (0.32) PPARGPPARAPTPN1ALOX5AKR1C3
SCHEMBL4465143 0.89 ALOX5 (0.33) PPARGPPARAPTPN1ALOX5AKR1C3
SCHEMBL27481935 0.88 ALDH1A1 (0.36) CYP11B1
SCHEMBL4473228 0.85 PTPN1 (0.37) PPARGPPARAPTPN1ALOX5AKR1C3
SCHEMBL27482635 0.85 CES1 (0.35) HTR7
SCHEMBL27737008 0.84 PTPN1 (0.36) PPARGPPARAPTPN1ALOX5AKR1C3
SCHEMBL27493412 0.84 ALDH1A1 (0.33)
SCHEMBL5086304 0.82 ALDH1A1 (0.34) MAPTCHRNA7HTR2C
SCHEMBL27494192 0.81 CES1 (0.32) HTR7
SCHEMBL4457396 0.81 PDCD1 (0.33) MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7569651-B2 Transition metal compound, ligand system, catalyst system and its use for the polymerization and copolymerization of olefins BASELL POLYPROPYLEN GMBH (DE) 2009-08-04 US disclosed
US-7342078-B2 Transition metal compound, ligand system, catalyst system and the use of the latter for polymerisation and copolymerisation of olefins BASELL POLYOLEFINE GMBH (DE) 2008-03-11 US disclosed
US-20060020096-A1 Transition metal compound, ligand system, catalyst system and its use for the polymerization and copolymerization of olefins SCHOTTEK JORG 2006-01-26 US disclosed
CN-1191285-C Ethylene/alpha-olefin/unconjugated polyene copolymer rubber, rubber composition for sealing, molded rubber for sealing, and process for producing the molded rubber MITSUI CHEMICALS INC (JP) 2005-03-02 CN disclosed
US-20030149199-A1 Transition metal compound, ligand system, catalyst system and the use of the latter for polymerisation and copolymerisation of olefins BASELL POLYPROPYLEN GMBH (DE) 2003-08-07 US disclosed
CN-1310730-A Ethylene-alpha-olefin-nonconjugated polyene copolymer rubber, rubber composition for sealing, molded rubber article for sealing, and process for producing molded article MITSUI CHEMICALS INC (JP) 2001-08-29 CN 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-20030149199-A1 Transition metal compound, ligand system, catalyst system and the use of the latter for polymerisation and copolymerisation of olefins PORCN, PGR, PPOX PPARG 455/4885PPARA 150/4885PTPN1 4043/4885

“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.