SCHEMBL4465018

SCHEMBL4465018

CCC(C)C1=Cc2c(cccc2-c2ccc3ccccc3c2)[CH]1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 1/20 0.36
AKR1C3 P42330 3/20 0.36
AKR1C2 P52895 3/20 0.36
HDAC4 P56524 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
S1PR4 O95977 1/20 0.34
S1PR5 Q9H228 1/20 0.34
DHFR P00374 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
TRPA1 O75762 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HSD17B1 P14061 1/20 0.32
HSD17B2 P37059 1/20 0.32
CNR2 P34972 1/20 0.32

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
SCHEMBL4470044 0.90 GSTP1 (0.35) GSTP1AKR1C3AKR1C2HDAC4HDAC2
SCHEMBL4470390 0.88 GSTP1 (0.41) GSTP1AKR1C3AKR1C2HDAC4HDAC2
SCHEMBL27757823 0.87 GSTP1 (0.40) GSTP1AKR1C3AKR1C2HDAC4HDAC2
SCHEMBL4457396 0.84 PDCD1 (0.33) TRPA1KDM4E
SCHEMBL1242049 0.82
SCHEMBL4478710 0.80 PPARG (0.34) AKR1C3AKR1C2HTR2CCNR2
SCHEMBL27482635 0.80 CES1 (0.35)
SCHEMBL27481935 0.80 ALDH1A1 (0.36)
SCHEMBL27494194 0.79
SCHEMBL4463931 0.78 PTAFR (0.33)

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-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
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

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 GSTP1 827/4885AKR1C3 4307/4885AKR1C2 4354/4885

“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.