SCHEMBL4179938

SCHEMBL4179938

CCCCCCOc1cccc(C(=O)Oc2cccc(CCCCC)c2)c1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 5/20 0.62
PPARG P37231 3/20 0.62
SMPD1 P17405 4/20 0.58
CNR1 P21554 1/20 0.58
CNR2 P34972 1/20 0.58
PLA2G4B P0C869 3/20 0.55
CYP2D6 P10635 2/20 0.55
THRA P10827 1/20 0.54
THRB P10828 1/20 0.54
KMT2A Q03164 1/20 0.52
GGPS1 O95749 1/20 0.52

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
SCHEMBL4180280 0.90 PPARA (0.58) PPARAPPARGCNR1CNR2PLA2G4B
SCHEMBL10807628 0.87 PPARA (0.64) PPARAPPARGSMPD1CNR1CNR2
SCHEMBL4146552 0.85 PPARA (0.60) PPARAPPARGSMPD1
SCHEMBL7942130 0.85 PPARA (0.60) PPARAPPARGSMPD1
SCHEMBL26997160 0.84 PPARA (0.67) PPARAPPARG
SCHEMBL17509797 0.84 PPARA (0.68) PPARAPPARGCNR1CNR2PLA2G4B
SCHEMBL17509789 0.84 PPARA (0.68) PPARAPPARGCNR1CNR2PLA2G4B
SCHEMBL17509804 0.84 PPARA (0.68) PPARAPPARGCNR1CNR2PLA2G4B
SCHEMBL17509791 0.84 PPARA (0.68) PPARAPPARGCNR1CNR2PLA2G4B
SCHEMBL17509779 0.84 PPARA (0.68) PPARAPPARGCNR1CNR2PLA2G4B

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-20090143609-A1 LIQUID CRYSTAL COMPOSITIONS AND THEIR USE IN LIQUID CRYSTAL DEVICES IPS ALPHA SUPPORT CO., LTD. (JP) 2009-06-04 US disclosed
US-20090143609-A1 LIQUID CRYSTAL COMPOSITIONS AND THEIR USE IN LIQUID CRYSTAL DEVICES IPS ALPHA SUPPORT CO., LTD. (JP) 2009-06-04 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-20090143609-A1 LIQUID CRYSTAL COMPOSITIONS AND THEIR USE IN LIQUID CRYSTAL DEVICES GTF3C3, CCR3, OR10J3 PPARA 4802/4885PPARG 4661/4885SMPD1 4711/4885

“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.