SCHEMBL5397493

SCHEMBL5397493

CCCCCCCCCCCCPc1c(C)cc(C)cc1C

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.34
HTT P42858 2/20 0.34
CNR2 P34972 3/20 0.33
SIRT2 Q8IXJ6 1/20 0.33
TSHR P16473 1/20 0.32
THRB P10828 1/20 0.32
HPGD P15428 2/20 0.32
POLB P06746 1/20 0.32
CYP3A4 P08684 1/20 0.31
CNR1 P21554 2/20 0.31
NOS2 P35228 1/20 0.31
NPC1 O15118 1/20 0.31
MAPK1 P28482 1/20 0.31
RAB9A P51151 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
ESR1 P03372 1/20 0.30
FFAR1 O14842 1/20 0.30
PLA2G2A P14555 1/20 0.30
PLA2G5 P39877 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
SCHEMBL5399818 1.00 PTGS2 (0.34) PTGS2HTTCNR2SIRT2TSHR
SCHEMBL5396904 1.00 PTGS2 (0.34) PTGS2HTTCNR2SIRT2TSHR
SCHEMBL5389829 1.00 PTGS2 (0.34) PTGS2HTTCNR2SIRT2TSHR
SCHEMBL5381141 1.00 PTGS2 (0.34) PTGS2HTTCNR2SIRT2TSHR
SCHEMBL5380806 1.00 PTGS2 (0.34) PTGS2HTTCNR2SIRT2TSHR
SCHEMBL5384600 1.00 PTGS2 (0.34) PTGS2HTTCNR2SIRT2TSHR
SCHEMBL5389415 0.98 SIRT2 (0.33) PTGS2HTTCNR2SIRT2HPGD
SCHEMBL5389577 0.92 HPGD (0.33) HTTSIRT2TSHRHPGDPOLB
SCHEMBL5391729 0.83 RAPGEF4 (0.33)
SCHEMBL27948073 0.78 CNR2 (0.38) PTGS2HTTCNR2TSHRTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7214747-B2 Phosphorus substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-05-08 US disclosed
US-20050239980-A1 Phosphorus substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. 2005-10-27 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-20050239980-A1 Phosphorus substituted metallocene compounds for olefin polymerization CCRL2, ARL1, OSBP2 PTGS2 3148/4885HTT 4684/4885CNR2 281/4885

“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.