Octenidine

Octenidine

SCHEMBL13834162

CCCCCCCCCCCCCCCCCC(=O)O.CCCCCCCCN=c1ccn(CCCCCCCCCCn2ccc(=NCCCCCCCC)cc2)cc1

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

rplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Octenidine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 7/20 0.46
PPARG P37231 7/20 0.46
PPARD Q03181 7/20 0.46
PPARA Q07869 7/20 0.46
HDAC11 Q96DB2 5/20 0.46
TSHR P16473 4/20 0.46
PTPN1 P18031 3/20 0.46
ALDH1A1 P00352 2/20 0.46
TLR2 O60603 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
FABP4 P15090 2/20 0.46
SLC22A6 Q4U2R8 1/20 0.46
SLC22A8 Q8TCC7 1/20 0.46
MEN1 O00255 1/20 0.46
ESR1 P03372 1/20 0.46
ALOX15 P16050 1/20 0.46
PDE4A P27815 1/20 0.46
KMT2A Q03164 1/20 0.46
PDE3A Q14432 1/20 0.46
HSD17B10 Q99714 1/20 0.46

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
Octenidine SCHEMBL20765563 1.00 GPR84 (0.46) GPR84PPARGPPARDPPARAHDAC11
Octenidine SCHEMBL20765367 0.90 NPC1 (0.47) ALDH1A1TDP1MEN1KMT2ANPC1
SCHEMBL10570053 0.87 NPC1 (0.56) TSHRALDH1A1MEN1ALOX15KMT2A
Octenidine SCHEMBL124821 0.87 NPC1 (0.56) TSHRALDH1A1MEN1ALOX15KMT2A
Octenidine SCHEMBL20764598 0.87 NPC1 (0.56) TSHRALDH1A1MEN1ALOX15KMT2A
Octenidine SCHEMBL986183 0.85 NPC1 (0.54) TSHRALDH1A1MEN1KMT2ANPC1
Octenidine SCHEMBL2589785 0.85 NPC1 (0.54) TSHRALDH1A1MEN1KMT2ANPC1
Hydrochloric Acid SCHEMBL10573221 0.85 NPC1 (0.54) TSHRALDH1A1MEN1KMT2ANPC1
Octenidine SCHEMBL20597431 0.85 NPC1 (0.59) TSHRALDH1A1MEN1KMT2ANPC1
Octenidine SCHEMBL8824299 0.85 NPC1 (0.54) TSHRALDH1A1MEN1KMT2ANPC1

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
US-9687432-B2 Antimicrobial bispyridine amine compositions and uses LONZA INC. (US) 2017-06-27 US disclosed
US-20150328115-A1 ANTIMICROBIAL BISPYRIDINE AMINE COMPOSITIONS AND USES LONZA, LLC 2015-11-19 US disclosed
US-20140348890-A1 WOUND DRESSING LOHMANN & RAUSCHER GMBH & CO. KG (DE) 2014-11-27 US disclosed
US-20120294920-A1 WOUND DRESSING LOHMANN & RAUSCHER GMBH & CO. KG (DE) 2012-11-22 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-20120294920-A1 WOUND DRESSING CUTA, CAPG, MMP8 GPR84 3087/4885PPARG 4515/4885PPARD 4035/4885
US-20150328115-A1 ANTIMICROBIAL BISPYRIDINE AMINE COMPOSITIONS AND USES CUTA, AOC1, DDC GPR84 627/4885PPARG 3940/4885PPARD 1565/4885

“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.