SCHEMBL146205

SCHEMBL146205

CCCOP(=O)(OCCC)OP(=O)(O)OCCOCCO

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.46
CYP3A4 P08684 2/20 0.46
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
THRB P10828 1/20 0.39
HTT P42858 1/20 0.39
MAPT P10636 1/20 0.39
PLA2G2C Q5R387 1/20 0.35
PPARD Q03181 1/20 0.35
BTN3A1 O00481 1/20 0.34
ALDH1A1 P00352 1/20 0.33
MAPK1 P28482 1/20 0.33
LPAR3 Q9UBY5 3/20 0.31
LPAR1 Q92633 2/20 0.31
LPAR2 Q9HBW0 2/20 0.31
MVD P53602 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
SCHEMBL139544 0.90 CYP3A4 (0.56) TSHRCYP3A4MEN1KMT2ATHRB
SCHEMBL10694319 0.90 PPARD (0.39) TSHRCYP3A4PLA2G2CPPARDBTN3A1
SCHEMBL147548 0.88 PPARD (0.44) TSHRCYP3A4MEN1KMT2ATHRB
SCHEMBL27905381 0.86 TSHR (0.61) TSHRCYP3A4MEN1KMT2ATHRB
SCHEMBL11809290 0.86 CYP3A4 (0.44) TSHRCYP3A4MEN1KMT2APPARD
Ammonia Solution, Strong SCHEMBL28481503 0.84 CYP3A4 (0.43) TSHRCYP3A4MEN1KMT2APPARD
SCHEMBL11258450 0.83 ALDH1A1 (0.45) TSHRCYP3A4MEN1KMT2ABTN3A1
SCHEMBL141690 0.81 CYP3A4 (0.44) TSHRCYP3A4PPARDBTN3A1LPAR3
SCHEMBL8837386 0.80 BTN3A1 (0.39) CYP3A4PLA2G2CPPARDBTN3A1ALDH1A1
SCHEMBL10425531 0.79 CYP3A4 (0.39) TSHRCYP3A4MEN1KMT2APPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8475934-B2 Flame-retardant timber materials LANXESS DEUTSCHLAND GMBH (DE) 2013-07-02 US claimed
US-20120058358-A1 Flame-retardant timber materials LANXESS DEUTSCHLAND GMBH (DE) 2012-03-08 US claimed
EP-1746129-B1 Halogenfree, flameretardant polyurethane foams LANXESS DEUTSCHLAND GMBH (DE) 2009-01-14 EP claimed
US-20070021516-A1 Halogen-free, flame-retardant polyurethane foams LANXESS DEUTSCHLAND GMBH 2007-01-25 US claimed
US-8475934-B2 Flame-retardant timber materials LANXESS DEUTSCHLAND GMBH (DE) 2013-07-02 US disclosed
US-20120058358-A1 Flame-retardant timber materials LANXESS DEUTSCHLAND GMBH (DE) 2012-03-08 US disclosed
US-20070021516-A1 Halogen-free, flame-retardant polyurethane foams LANXESS DEUTSCHLAND GMBH 2007-01-25 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-20120058358-A1 Flame-retardant timber materials PFAS, CYP4F3, TARS2 TSHR 226/4885CYP3A4 100/4885MEN1 2340/4885

“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.