SCHEMBL139544

SCHEMBL139544

CCCCOP(=O)(OCCCC)OP(=O)(O)OCCOCCO

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.56
TSHR P16473 2/20 0.56
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
THRB P10828 1/20 0.44
HTT P42858 1/20 0.44
MAPT P10636 1/20 0.44
LPAR3 Q9UBY5 3/20 0.40
LPAR1 Q92633 2/20 0.40
LPAR2 Q9HBW0 2/20 0.40
PLA2G2C Q5R387 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
CASP1 P29466 1/20 0.35
SLCO1B3 Q9NPD5 1/20 0.35
SLCO1B1 Q9Y6L6 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL146205 0.90 TSHR (0.46) CYP3A4TSHRMEN1KMT2ATHRB
SCHEMBL21694832 0.89 CYP3A4 (0.58) CYP3A4TSHRMEN1KMT2ATHRB
SCHEMBL27743684 0.89 TSHR (0.57) CYP3A4TSHRMEN1KMT2ATHRB
SCHEMBL26758426 0.89 TSHR (0.57) CYP3A4TSHRMEN1KMT2ATHRB
SCHEMBL6062486 0.87 CYP3A4 (0.64) CYP3A4TSHRLPAR3LPAR1LPAR2
SCHEMBL147548 0.85 PPARD (0.44) CYP3A4TSHRMEN1KMT2ATHRB
Di(Hydroxyethyl)Ether SCHEMBL21694831 0.85 TSHR (0.53) CYP3A4TSHRMEN1KMT2ATHRB
Di(Hydroxyethyl)Ether SCHEMBL27943641 0.85 TSHR (0.61) CYP3A4TSHRMEN1KMT2ATHRB
SCHEMBL29720506 0.85 CYP3A4 (0.61) CYP3A4TSHRLPAR3LPAR1LPAR2
Ammonia Solution, Strong SCHEMBL435167 0.85 CYP3A4 (0.61) CYP3A4TSHRLPAR3LPAR1LPAR2

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 9 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
CN-102431066-A Flame-retardant timber material and use thereof, and method for giving flame retardance of timber materials LANXESS DEUTSCHLAND GMBH 2012-05-02 CN 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
CN-102431066-A Flame-retardant timber material and use thereof, and method for giving flame retardance of timber materials LANXESS DEUTSCHLAND GMBH 2012-05-02 CN 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 CYP3A4 100/4885TSHR 226/4885MEN1 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.