SCHEMBL701207

SCHEMBL701207

Cc1c(Oc2cccc(C(C)(C)C)c2C)cccc1C(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.44
GABRA1 P14867 1/20 0.43
GABRB2 P47870 1/20 0.43
ALDH1A1 P00352 6/20 0.38
TDP1 Q9NUW8 2/20 0.38
TSHR P16473 1/20 0.38
ATM Q13315 1/20 0.36
CYP1A2 P05177 2/20 0.35
CYP2D6 P10635 2/20 0.35
CYP2C19 P33261 2/20 0.35
HSD17B10 Q99714 1/20 0.35
P2RY1 P47900 1/20 0.35
KDM4E B2RXH2 3/20 0.33
GAA P10253 1/20 0.33
KIF11 P52732 1/20 0.33
CYP3A4 P08684 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
RXRG P48443 1/20 0.33

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
SCHEMBL6690123 0.84 CA2 (0.44) CA2GABRA1GABRB2ALDH1A1TDP1
SCHEMBL31539075 0.84 CA2 (0.44) CA2GABRA1GABRB2ALDH1A1TDP1
SCHEMBL5061063 0.80 CA2 (0.57) CA2GABRA1GABRB2ALDH1A1TDP1
SCHEMBL19532868 0.79 ALDH1A1 (0.42) CA2GABRA1GABRB2ALDH1A1TDP1
SCHEMBL26731590 0.79 CA2 (0.39) CA2GABRA1GABRB2ALDH1A1TDP1
SCHEMBL127278 0.78 ALDH1A1 (0.48) CA2ALDH1A1TDP1TSHRATM
SCHEMBL30500977 0.78 ALDH1A1 (0.48) CA2ALDH1A1TDP1TSHRATM
SCHEMBL28905579 0.77 CA2 (0.44) CA2GABRA1GABRB2ALDH1A1TDP1
SCHEMBL9445437 0.76 CA2 (0.67) CA2GABRA1GABRB2ALDH1A1TDP1
SCHEMBL25946852 0.75 ELANE (0.49) CA2GABRA1GABRB2ALDH1A1TDP1

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 11 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
CN-1886411-B Process for producing phosphonium borate compound, novel phosphonium borate compound, and method of using the same HOKKO CHEM IND CO 2010-09-08 CN 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
CN-1886411-A Process for producing phosphonium borate compound, novel phosphonium borate compound, and method of using the same HOKKO CHEM IND CO (JP) 2006-12-27 CN 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 CA2 48/4885GABRA1 2119/4885GABRB2 2180/4885
US-20110237799-A1 Process for Producing Phosphonium Borate Compound, Novel Phosphonium Borate Compound, and Method of Using the Same EPB41, CA4, RBBP4 CA2 52/4885GABRA1 2196/4885GABRB2 2261/4885
US-20090305877-A1 Process for producing phosphonium borate compound, novel phosphonium borate compound, and method of using the same PHOSPHO1, BRI3BP, CA4 CA2 298/4885GABRA1 1332/4885GABRB2 1340/4885

“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.