SCHEMBL3243538

SCHEMBL3243538

CCCCCCCCCCCCCOCCCN(C)C

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 5/20 0.64
THRB P10828 2/20 0.52
HTT P42858 2/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
MAPT P10636 1/20 0.52
LSS P48449 1/20 0.50
ALDH1A1 P00352 3/20 0.46
TSHR P16473 2/20 0.46
SPHK1 Q9NYA1 1/20 0.44
CES2 O00748 1/20 0.43
TDP1 Q9NUW8 1/20 0.41
USP2 O75604 1/20 0.41
KDM4E B2RXH2 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NAAA Q02083 1/20 0.40
THRA P10827 1/20 0.40

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
SCHEMBL3244613 1.00 DNM1 (0.64) DNM1THRBHTTMEN1KMT2A
SCHEMBL15510986 1.00 DNM1 (0.64) DNM1THRBHTTMEN1KMT2A
SCHEMBL1547511 1.00 DNM1 (0.64) DNM1THRBHTTMEN1KMT2A
SCHEMBL9905921 1.00 DNM1 (0.64) DNM1THRBHTTMEN1KMT2A
SCHEMBL1547966 1.00 DNM1 (0.64) DNM1THRBHTTMEN1KMT2A
SCHEMBL12275607 1.00 DNM1 (0.64) DNM1THRBHTTMEN1KMT2A
SCHEMBL5159543 1.00 DNM1 (0.64) DNM1THRBHTTMEN1KMT2A
SCHEMBL10580100 1.00 DNM1 (0.64) DNM1THRBHTTMEN1KMT2A
SCHEMBL116357 1.00 DNM1 (0.64) DNM1THRBHTTMEN1KMT2A
SCHEMBL9818095 1.00 DNM1 (0.64) DNM1THRBHTTMEN1KMT2A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1748798-B1 ANTIMICROBIAL COMPOSITIONS AND USES THEREOF BAUSCH & LOMB (US) 2010-05-05 EP claimed
US-20100113274-A1 GLYPHOSATE FORMULATIONS CONTAINING AMIDOALKYLAMINE SURFACTANTS MONSANTO TECHNOLOGY LLC (US) 2010-05-06 US disclosed
EP-1748798-B1 ANTIMICROBIAL COMPOSITIONS AND USES THEREOF BAUSCH & LOMB (US) 2010-05-05 EP disclosed
EP-0288515-B1 QUATERNIZED NITROGEN CONTAINING COMPOUNDS ISP INVESTMENTS INC. (US) 1993-05-05 EP disclosed
EP-0288515-A4 QUATERNIZED NITROGEN CONTAINING COMPOUNDS 1990-09-26 EP disclosed
EP-0288515-A1 QUATERNIZED NITROGEN CONTAINING COMPOUNDS. GAF CORP (US) 1988-11-02 EP disclosed
WO-1988002985-A1 QUATERNIZED NITROGEN CONTAINING COMPOUNDS GAF CORPORATION (US) 1988-05-05 WO 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-20100113274-A1 GLYPHOSATE FORMULATIONS CONTAINING AMIDOALKYLAMINE SURFACTANTS GLRA3, GRHPR, GLRA1 DNM1 2969/4885THRB 1257/4885HTT 1222/4885

“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.