SCHEMBL147548

SCHEMBL147548

CCOP(=O)(OCC)OP(=O)(O)OCCOCCO

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 2/20 0.44
TSHR P16473 4/20 0.40
CYP3A4 P08684 1/20 0.39
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
THRB P10828 1/20 0.36
HTT P42858 1/20 0.36
MAPT P10636 1/20 0.36
BTN3A1 O00481 1/20 0.35
MAPK1 P28482 1/20 0.34
MVD P53602 1/20 0.31
PLA2G2C Q5R387 1/20 0.31

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 0.88 TSHR (0.46) PPARDTSHRCYP3A4ALDH1A1MEN1
SCHEMBL28832959 0.86 PPARD (0.44) PPARDTSHRCYP3A4ALDH1A1MEN1
SCHEMBL21694823 0.85 PPARD (0.45) PPARDTSHRCYP3A4ALDH1A1MEN1
SCHEMBL21694834 0.85 PPARD (0.45) PPARDTSHRCYP3A4ALDH1A1MEN1
SCHEMBL19512016 0.85 PPARD (0.45) PPARDTSHRCYP3A4ALDH1A1MEN1
SCHEMBL139544 0.85 CYP3A4 (0.56) TSHRCYP3A4ALDH1A1MEN1KMT2A
Ethyl Pyrophosphate SCHEMBL28004006 0.85 TSHR (0.50) PPARDTSHRCYP3A4ALDH1A1MEN1
SCHEMBL10416347 0.83 TSHR (0.55) PPARDTSHRCYP3A4ALDH1A1MEN1
SCHEMBL11258450 0.81 ALDH1A1 (0.45) TSHRCYP3A4ALDH1A1MEN1KMT2A
SCHEMBL8904065 0.80 BTN3A1 (0.48) TSHRMEN1KMT2ABTN3A1MAPK1

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 13 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-9920081-B2 Halogen-free poly(alkylene phosphates) LANXESS DEUTSCHLAND GMBH (DE) 2018-03-20 US disclosed
CN-105936681-A Flame-retardant cellulose ester preparations 朗盛德国有限责任公司 2016-09-14 CN disclosed
US-20160257704-A1 FLAME-RETARDANT CELLULOSE ESTER PREPARATIONS LANXESS DEUTSCHLAND GMBH (DE) 2016-09-08 US disclosed
US-20140024734-A1 HALOGEN-FREE POLY(ALKYLENE PHOSPHATES) LANXESS DEUTSCHLAND GMBH (DE) 2014-01-23 US disclosed
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 (3 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-20160257704-A1 FLAME-RETARDANT CELLULOSE ESTER PREPARATIONS FIBP, PFKFB2, FABP4 PPARD 36/4885TSHR 1304/4885CYP3A4 2152/4885
US-20120058358-A1 Flame-retardant timber materials PFAS, CYP4F3, TARS2 PPARD 67/4885TSHR 226/4885CYP3A4 100/4885
US-20140024734-A1 HALOGEN-FREE POLY(ALKYLENE PHOSPHATES) PUF60, PCBP1, FFAR3 PPARD 645/4885TSHR 1431/4885CYP3A4 2735/4885

“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.