SCHEMBL918587

SCHEMBL918587

CCCCCCCCNC(=N)NC#N

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 9/20 0.45
CASP2 P42575 1/20 0.41
ZDHHC20 Q5W0Z9 2/20 0.39
ZDHHC2 Q9UIJ5 2/20 0.39
NAAA Q02083 1/20 0.39
PLA2G2A P14555 1/20 0.39
SPHK1 Q9NYA1 3/20 0.38
MGLL Q99685 1/20 0.38

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
SCHEMBL1937986 1.00 EPHX1 (0.45) EPHX1CASP2ZDHHC20ZDHHC2NAAA
SCHEMBL2152762 1.00 EPHX1 (0.45) EPHX1CASP2ZDHHC20ZDHHC2NAAA
SCHEMBL11726308 1.00 EPHX1 (0.45) EPHX1CASP2ZDHHC20ZDHHC2NAAA
SCHEMBL1937657 1.00 EPHX1 (0.45) EPHX1CASP2ZDHHC20ZDHHC2NAAA
SCHEMBL11726259 1.00 EPHX1 (0.45) EPHX1CASP2ZDHHC20ZDHHC2NAAA
SCHEMBL11810751 1.00 EPHX1 (0.45) EPHX1CASP2ZDHHC20ZDHHC2NAAA
SCHEMBL12669343 1.00 EPHX1 (0.45) EPHX1CASP2ZDHHC20ZDHHC2NAAA
SCHEMBL11125409 1.00 EPHX1 (0.45) EPHX1CASP2ZDHHC20ZDHHC2NAAA
SCHEMBL1937316 1.00 EPHX1 (0.45) EPHX1CASP2ZDHHC20ZDHHC2NAAA
SCHEMBL11808849 1.00 EPHX1 (0.45) EPHX1CASP2ZDHHC20ZDHHC2NAAA

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2066623-B1 PROCESS FOR PRODUCING 1-(3,4-DICHLOROBENZYL)-5-OCTYLBIGUANIDE OR A SALT THEREOF OTSUKA PHARMA CO LTD (JP) 2013-06-19 EP claimed
US-7868207-B2 Process for producing 1-(3,4-dichlorobenzyl)-5-octylbiguanide or a salt thereof OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-01-11 US claimed
US-20090270653-A1 PROCESS FOR PRODUCING 1-(3,4-DICHLOROBENZYL)-5-OCTYLBIGUANIDE OR A SALT THEREOF OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-10-29 US claimed
EP-2066623-A1 PROCESS FOR PRODUCING 1-(3,4-DICHLOROBENZYL)-5-OCTYLBIGUANIDE OR A SALT THEREOF Otsuka Pharmaceutical Co., Ltd. (JP) 2009-06-10 EP claimed
WO-2008026757-A1 PROCESS FOR PRODUCING 1-(3,4-DICHLOROBENZYL)-5-OCTYLBIGUANIDE OR A SALT THEREOF OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-03-06 WO claimed
EP-0507317-B1 Biguanide derivatives, manufacturing method thereof, and disinfectants containing the derivatives OTSUKA PHARMA CO LTD (JP) 1997-01-15 EP claimed
US-4347310-A INCREASED PHOTOSENZITIVITY USING GUANIDINE DERIVTIVES AS SENSITIZERS; PHOTOSTABILITY; STORAGE STABILITY ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1982-08-31 US claimed
EP-2066623-B1 PROCESS FOR PRODUCING 1-(3,4-DICHLOROBENZYL)-5-OCTYLBIGUANIDE OR A SALT THEREOF OTSUKA PHARMA CO LTD (JP) 2013-06-19 EP disclosed
CN-101506152-B Process for producing 1- (3, 4-dichlorobenzyl) -5-octylbiguanide or salt thereof OTSUKA PHARMA CO LTD 2012-11-21 CN disclosed
US-20110207926-A1 NOVEL DIHYDROTRIAZINE DERIVATIVE HAMARI CHEMICALS, LTD. (JP) 2011-08-25 US disclosed
EP-2332925-A1 NOVEL DIHYDROTRIAZINE DERIVATIVE Hamari Chemicals, Ltd. (JP) 2011-06-15 EP disclosed
US-7868207-B2 Process for producing 1-(3,4-dichlorobenzyl)-5-octylbiguanide or a salt thereof OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-01-11 US disclosed
US-7868207-B2 Process for producing 1-(3,4-dichlorobenzyl)-5-octylbiguanide or a salt thereof OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-01-11 US disclosed
EP-0507317-B1 Biguanide derivatives, manufacturing method thereof, and disinfectants containing the derivatives OTSUKA PHARMA CO LTD (JP) 1997-01-15 EP disclosed
EP-0507317-A2 Biguanide derivatives, manufacturing method thereof, and disinfectants containing the derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-10-07 EP disclosed
US-4347310-A INCREASED PHOTOSENZITIVITY USING GUANIDINE DERIVTIVES AS SENSITIZERS; PHOTOSTABILITY; STORAGE STABILITY ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1982-08-31 US disclosed
US-4045483-A BACTERICIDES, FUNGICIDES STERLING DRUG INC. (US) 1977-08-30 US disclosed
US-4009163-A BACTERICIDES, FUNGICIDES STERLING DRUG INC. (US) 1977-02-22 US disclosed
US-3996232-A ANTIULCER AGENTS WILLIAM H. RORER, INC. (US) 1976-12-07 US disclosed
US-3988370-A BACTERICIDES, FUNGICIDES STERLING DRUG INC. (US) 1976-10-26 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 (2 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-20110207926-A1 NOVEL DIHYDROTRIAZINE DERIVATIVE QDPR, DRD4, DRD1 EPHX1 4731/4885CASP2 459/4885ZDHHC20 3377/4885
US-20090270653-A1 PROCESS FOR PRODUCING 1-(3,4-DICHLOROBENZYL)-5-OCTYLBIGUANIDE OR A SALT THEREOF SLC6A9, CA9, ALKBH1 EPHX1 654/4885CASP2 3173/4885ZDHHC20 1003/4885

“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.