SCHEMBL7044912

SCHEMBL7044912

CCCCCCCCCCCCCCCOCCCOC=O

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.48
THRB P10828 1/20 0.48
HTT P42858 1/20 0.48
KMT2A Q03164 1/20 0.48
MAPT P10636 1/20 0.48
CES2 O00748 2/20 0.45
TSHR P16473 2/20 0.39
ALDH1A1 P00352 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
USP2 O75604 1/20 0.38
CA1 P00915 4/20 0.38
CA2 P00918 4/20 0.38
CA9 Q16790 4/20 0.38
LPAR1 Q92633 2/20 0.38
LPAR3 Q9UBY5 2/20 0.38
LPAR2 Q9HBW0 1/20 0.38
NAAA Q02083 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
SCHEMBL15208422 1.00 MEN1 (0.48) MEN1THRBHTTKMT2AMAPT
SCHEMBL7045692 1.00 MEN1 (0.48) MEN1THRBHTTKMT2AMAPT
SCHEMBL7044920 1.00 MEN1 (0.48) MEN1THRBHTTKMT2AMAPT
SCHEMBL7044023 1.00 MEN1 (0.48) MEN1THRBHTTKMT2AMAPT
SCHEMBL7043779 1.00 MEN1 (0.48) MEN1THRBHTTKMT2AMAPT
SCHEMBL7045534 1.00 MEN1 (0.48) MEN1THRBHTTKMT2AMAPT
SCHEMBL7045822 1.00 MEN1 (0.48) MEN1THRBHTTKMT2AMAPT
SCHEMBL7044520 1.00 MEN1 (0.48) MEN1THRBHTTKMT2AMAPT
SCHEMBL7045509 1.00 MEN1 (0.48) MEN1THRBHTTKMT2AMAPT
SCHEMBL4396265 0.98 MEN1 (0.50) MEN1THRBHTTKMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030064954-A1 Cationic amphiphilic 1,4-dihydropyridine derivatives useful for delivery of nucleotide containing compounds SPONDULI SERVICES, LTD. (AU) 2003-04-03 US claimed
EP-1261731-A1 CATIONIC AMPHIPHILIC 1,4-DIHYDROPYRIDINE DERIVATIVES USEFUL FOR DELIVERY OF NUCLEOTIDE CONTAINING COMPOUNDS Urtti, Arto (FI) 2002-12-04 EP claimed
WO-2001062946-A1 CATIONIC AMPHIPHILIC 1,4-DIHYDROPYRIDINE DERIVATIVES USEFUL FOR DELIVERY OF NUCLEOTIDE CONTAINING COMPOUNDS URTTI ARTO (FI) 2001-08-30 WO claimed
US-20030064954-A1 Cationic amphiphilic 1,4-dihydropyridine derivatives useful for delivery of nucleotide containing compounds SPONDULI SERVICES, LTD. (AU) 2003-04-03 US disclosed
EP-1261731-A1 CATIONIC AMPHIPHILIC 1,4-DIHYDROPYRIDINE DERIVATIVES USEFUL FOR DELIVERY OF NUCLEOTIDE CONTAINING COMPOUNDS Urtti, Arto (FI) 2002-12-04 EP disclosed
WO-2001062946-A1 CATIONIC AMPHIPHILIC 1,4-DIHYDROPYRIDINE DERIVATIVES USEFUL FOR DELIVERY OF NUCLEOTIDE CONTAINING COMPOUNDS URTTI ARTO (FI) 2001-08-30 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-20030064954-A1 Cationic amphiphilic 1,4-dihydropyridine derivatives useful for delivery of nucleotide containing compounds ACIN1, DNA2, KPNA1 MEN1 2117/4885THRB 4695/4885HTT 1168/4885

“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.