SCHEMBL700593

SCHEMBL700593

CC(C)(C)c1cccc(OC(=O)CC(=O)O)c1C(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 4/20 0.44
NPSR1 Q6W5P4 1/20 0.43
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 3/20 0.43
GAA P10253 2/20 0.43
TDP1 Q9NUW8 2/20 0.42
ATM Q13315 1/20 0.42
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
RXRG P48443 1/20 0.40
NR1H4 Q96RI1 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.38
NAMPT P43490 1/20 0.37
NLRP3 Q96P20 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL700592 0.92 KDM4E (0.42) RBP4NPSR1KDM4EALDH1A1GAA
SCHEMBL1205811 0.86 TDP1 (0.56) RBP4NPSR1KDM4EALDH1A1GAA
SCHEMBL3902495 0.84 KDM4E (0.41) NPSR1KDM4EALDH1A1GAATDP1
SCHEMBL10662161 0.84 TDP1 (0.49) RBP4NPSR1KDM4EALDH1A1GAA
SCHEMBL10662158 0.84 TDP1 (0.46) RBP4NPSR1KDM4EALDH1A1GAA
SCHEMBL247427 0.82 TDP1 (0.47) RBP4NPSR1KDM4EALDH1A1GAA
SCHEMBL28553225 0.81 NPSR1 (0.41) RBP4NPSR1KDM4EALDH1A1GAA
SCHEMBL246229 0.80 TDP1 (0.45) RBP4NPSR1KDM4EALDH1A1GAA
Iodide SCHEMBL6037445 0.80 ATM (0.40) RBP4NPSR1KDM4EALDH1A1GAA
SCHEMBL7711563 0.79 PPARG (0.43) RBP4ATMRXRARXRBRXRG

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
EP-1688424-B1 PHOSPHONIUM BORATE COMPOUND AND METHOD OF USING THE SAME HOKKO CHEM IND CO (JP) 2016-01-13 EP disclosed
US-8604249-B2 Process for producing phosphonium borate compound, novel phosphonium borate compound, and method of using the same HOKKO CHEMICAL INDUSTRY CO., LTD. (JP) 2013-12-10 US disclosed
US-8124809-B2 Process for producing phosphonium borate compound, novel phosphonium borate compound, and method of using the same HOKKO CHEMICAL INDUSTRY CO., LTD. (JP) 2012-02-28 US disclosed
US-20110237799-A1 Process for Producing Phosphonium Borate Compound, Novel Phosphonium Borate Compound, and Method of Using the Same HOKKO CHEMICAL INDUSTRY CO., LTD. (JP) 2011-09-29 US disclosed
US-20110166389-A1 Process for Producing Phosphonium Borate Compound, Novel Phosphonium Borate Compound, and Method of Using the Same HOKKO CHEMICAL INDUSTRY CO., LTD. (JP) 2011-07-07 US disclosed
US-7728176-B2 Process for producing phosphonium borate compound, novel phosphonium borate compound, and method of using the same HOKKO CHEMICAL INDUSTRY CO., LTD. (JP) 2010-06-01 US disclosed
US-20090305877-A1 Process for producing phosphonium borate compound, novel phosphonium borate compound, and method of using the same HOKKO CHEMICAL INDUSTRY CO., LTD. (JP) 2009-12-10 US disclosed
US-20070098616-A1 Process for producing phosponium borate compound, novel phosphonium borate compound, and method of using the same HOKKO CHEMICAL INDUSTRY CO., LTD. (JP) 2007-05-03 US disclosed
EP-1688424-A1 PROCESS FOR PRODUCING PHOSPHONIUM BORATE COMPOUND, NOVEL PHOSPHONIUM BORATE COMPOUND, AND METHOD OF USING THE SAME HOKKO CHEMICAL INDUSTRY CO. LTD. (JP) 2006-08-09 EP 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-20110166389-A1 Process for Producing Phosphonium Borate Compound, Novel Phosphonium Borate Compound, and Method of Using the Same CA4, EPB41, MAPK4 RBP4 495/4885NPSR1 1699/4885KDM4E 2319/4885
US-20110237799-A1 Process for Producing Phosphonium Borate Compound, Novel Phosphonium Borate Compound, and Method of Using the Same EPB41, CA4, RBBP4 RBP4 427/4885NPSR1 1574/4885KDM4E 2679/4885
US-20090305877-A1 Process for producing phosphonium borate compound, novel phosphonium borate compound, and method of using the same PHOSPHO1, BRI3BP, CA4 RBP4 638/4885NPSR1 1191/4885KDM4E 3122/4885

“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.