SCHEMBL700507

SCHEMBL700507

CC(C)(O)C#Cc1ccc(F)cc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.46
ASIC3 Q9UHC3 1/20 0.44
TNIK Q9UKE5 7/20 0.42
LMNA P02545 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MAPT P10636 3/20 0.40
HAO1 Q9UJM8 1/20 0.39
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
FFAR1 O14842 1/20 0.38
APP P05067 1/20 0.38
GRM5 P41594 1/20 0.37
KMT2A Q03164 1/20 0.37
ATM Q13315 1/20 0.37

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
SCHEMBL11550210 0.94 TNIK (0.45) HTTASIC3TNIKLMNAL3MBTL1
SCHEMBL11552961 0.89 HAO1 (0.49) HTTASIC3TNIKLMNAL3MBTL1
SCHEMBL12391039 0.89 ASIC3 (0.50) HTTASIC3LMNAL3MBTL1MAPT
SCHEMBL13597759 0.82 HRH3 (0.41) HAO1FFAR1APPGRM5
SCHEMBL12711667 0.80 APP (0.47) HTTASIC3LMNAL3MBTL1MAPT
SCHEMBL14268091 0.80 ASIC3 (0.49) HTTASIC3LMNAL3MBTL1MAPT
SCHEMBL1571249 0.78 ASIC3 (0.44) HTTASIC3LMNAL3MBTL1MAPT
SCHEMBL18561130 0.78 MAPT (0.53) HTTASIC3LMNAL3MBTL1MAPT
SCHEMBL6865029 0.78 KIF11 (0.45) HTTASIC3LMNAL3MBTL1MAPT
SCHEMBL3448180 0.78 APP (0.54) HTTASIC3LMNAL3MBTL1MAPT

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 10 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
US-4412856-A POSTERMERGENCE HERBICIDES CIBA-GEIGY CORPORATION (US) 1983-11-01 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-20110166389-A1 Process for Producing Phosphonium Borate Compound, Novel Phosphonium Borate Compound, and Method of Using the Same CA4, EPB41, MAPK4 HTT 4744/4885ASIC3 219/4885TNIK 2882/4885
US-20110237799-A1 Process for Producing Phosphonium Borate Compound, Novel Phosphonium Borate Compound, and Method of Using the Same EPB41, CA4, RBBP4 HTT 4591/4885ASIC3 222/4885TNIK 2848/4885
US-20090305877-A1 Process for producing phosphonium borate compound, novel phosphonium borate compound, and method of using the same PHOSPHO1, BRI3BP, CA4 HTT 4628/4885ASIC3 214/4885TNIK 3272/4885

“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.