SCHEMBL4591889

SCHEMBL4591889

CCCCCc1[c]ccc(C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.34
CYP3A4 P08684 3/20 0.34
SLC6A2 P23975 3/20 0.33
SLC6A4 P31645 3/20 0.33
HTR2A P28223 2/20 0.33
HTT P42858 2/20 0.33
ESR1 P03372 2/20 0.33
TP53 P04637 2/20 0.33
ADRA2A P08913 2/20 0.33
ADORA3 P0DMS8 2/20 0.33
TACR2 P21452 2/20 0.33
SLC6A3 Q01959 2/20 0.33
TYR P14679 2/20 0.33
TRPA1 O75762 1/20 0.33
CYP1A1 P04798 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2A6 P11509 1/20 0.33
CYP2B6 P20813 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 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
SCHEMBL8709834 0.98 PTGS2 (0.36) PTGS2CYP3A4SLC6A2SLC6A4HTR2A
SCHEMBL8469997 0.98 PTGS2 (0.36) PTGS2CYP3A4SLC6A2SLC6A4HTR2A
SCHEMBL1778766 0.98 PTGS2 (0.36) PTGS2CYP3A4SLC6A2SLC6A4HTR2A
SCHEMBL7646225 0.98 PTGS2 (0.36) PTGS2CYP3A4SLC6A2SLC6A4HTR2A
SCHEMBL8574350 0.98 PTGS2 (0.36) PTGS2CYP3A4SLC6A2SLC6A4HTR2A
SCHEMBL981813 0.94 HTT (0.36) HTTTP53TYRMAPT
SCHEMBL1777552 0.86 TSHR (0.31) HSD17B10TSHR
SCHEMBL11417292 0.83 ACHE (0.33) CYP1A2CYP2A6KDM4EACHEMAPT
SCHEMBL5597590 0.81 HRH1 (0.35) CYP3A4HTR2ACYP1A2CYP2A6KCNH2
SCHEMBL1940072 0.81 PTGS2 (0.37) PTGS2CYP3A4SLC6A2SLC6A4HTR2A

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-20080125543-A1 Cationic Block Copolymers NANOHALE GMBH (DE) 2008-05-29 US claimed
US-20070036866-A1 Cationic block copolymers NANOHALE GMBH (DE) 2007-02-15 US claimed
EP-1226204-B1 CATIONIC BLOCK COPOLYMERS MEDINNOVA GES MED INNOVATIONEN (DE) 2006-01-11 EP claimed
CN-1364179-A Cationic block copolymers MEDINOVO MEDICAL STUDY AND INN (DE) 2002-08-14 CN claimed
US-7351845-B2 Transition metal polymerization catalysts, their synthesis and use in olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2008-04-01 US disclosed
US-20060173144-A1 Transition metal polymerization catalysts, their synthesis and use in olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. 2006-08-03 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-20060173144-A1 Transition metal polymerization catalysts, their synthesis and use in olefin polymerization SOD1, CCNT1, MYB PTGS2 1030/4885CYP3A4 463/4885SLC6A2 4728/4885

“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.