SCHEMBL918890

SCHEMBL918890

CCCCCCCCNC(=N)NC(=N)NCCCCCCCC

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 11/20 0.54
CASP2 P42575 1/20 0.48
ZDHHC20 Q5W0Z9 1/20 0.45
ZDHHC2 Q9UIJ5 1/20 0.45
NAAA Q02083 1/20 0.45
SPHK1 Q9NYA1 3/20 0.43
ALDH1A1 P00352 1/20 0.42
TSHR P16473 1/20 0.42
FAAH O00519 1/20 0.41

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
SCHEMBL18040457 1.00 EPHX1 (0.54) EPHX1CASP2ZDHHC20ZDHHC2NAAA
SCHEMBL28905824 1.00 EPHX1 (0.54) EPHX1CASP2ZDHHC20ZDHHC2NAAA
SCHEMBL2782596 1.00 EPHX1 (0.54) EPHX1CASP2ZDHHC20ZDHHC2NAAA
SCHEMBL18040458 1.00 EPHX1 (0.54) EPHX1CASP2ZDHHC20ZDHHC2NAAA
SCHEMBL14682771 1.00 EPHX1 (0.54) EPHX1CASP2ZDHHC20ZDHHC2NAAA
SCHEMBL18040456 1.00 EPHX1 (0.54) EPHX1CASP2ZDHHC20ZDHHC2NAAA
Hydrochloric Acid SCHEMBL7526117 0.98 EPHX1 (0.52) EPHX1CASP2ZDHHC20ZDHHC2NAAA
Hydrochloric Acid SCHEMBL4464613 0.98 EPHX1 (0.52) EPHX1CASP2ZDHHC20ZDHHC2NAAA
Hydrochloric Acid SCHEMBL4478566 0.98 EPHX1 (0.52) EPHX1CASP2ZDHHC20ZDHHC2NAAA
Hydrochloric Acid SCHEMBL4466381 0.98 EPHX1 (0.52) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-20090270653-A1 PROCESS FOR PRODUCING 1-(3,4-DICHLOROBENZYL)-5-OCTYLBIGUANIDE OR A SALT THEREOF OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-10-29 US disclosed
CN-101506152-A Preparation method of 1-(3, 4-dichlorobenzyl)-5-octyl biguanide or base salt OTSUKA PHARMA CO LTD (JP) 2009-08-12 CN 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 (1 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-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.