SCHEMBL700592

SCHEMBL700592

CC(C)(C)c1cccc(OC(=O)CC(=O)Oc2cccc(C(C)(C)C)c2C(C)(C)C)c1C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
GAA P10253 1/20 0.42
ATM Q13315 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
NPSR1 Q6W5P4 1/20 0.40
NAMPT P43490 1/20 0.40
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
RXRG P48443 1/20 0.39
NLRP3 Q96P20 1/20 0.39
MAPT P10636 1/20 0.38
CA2 P00918 1/20 0.38
RBP4 P02753 1/20 0.38
BCHE P06276 1/20 0.38
ALOX15 P16050 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
SCHEMBL700593 0.92 RBP4 (0.44) KDM4EALDH1A1GAAATMTDP1
SCHEMBL3902495 0.89 KDM4E (0.41) KDM4EALDH1A1GAAATMTDP1
SCHEMBL10662158 0.88 TDP1 (0.46) KDM4EALDH1A1GAAATMTDP1
SCHEMBL246229 0.84 TDP1 (0.45) KDM4EALDH1A1GAAATMTDP1
SCHEMBL1205809 0.84 TDP1 (0.57) KDM4EALDH1A1GAAATMTDP1
Iodide SCHEMBL6037445 0.84 ATM (0.40) KDM4EALDH1A1GAAATMTDP1
SCHEMBL247427 0.83 TDP1 (0.47) KDM4EALDH1A1GAAATMTDP1
SCHEMBL10662161 0.79 TDP1 (0.49) KDM4EALDH1A1GAAATMTDP1
SCHEMBL28553225 0.79 NPSR1 (0.41) KDM4EALDH1A1GAAATMTDP1
SCHEMBL2050525 0.79 TDP1 (0.41) KDM4EALDH1A1GAAATMTDP1

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 KDM4E 2319/4885ALDH1A1 4654/4885GAA 4698/4885
US-20110237799-A1 Process for Producing Phosphonium Borate Compound, Novel Phosphonium Borate Compound, and Method of Using the Same EPB41, CA4, RBBP4 KDM4E 2679/4885ALDH1A1 4626/4885GAA 4760/4885
US-20090305877-A1 Process for producing phosphonium borate compound, novel phosphonium borate compound, and method of using the same PHOSPHO1, BRI3BP, CA4 KDM4E 3122/4885ALDH1A1 3637/4885GAA 3727/4885

“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.