SCHEMBL13850464

SCHEMBL13850464

CCCCN(CC)C(=O)CC

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.59
CA1 P00915 3/20 0.59
CA9 Q16790 3/20 0.59
MMP1 P03956 1/20 0.48
MMP2 P08253 1/20 0.48
MMP3 P08254 1/20 0.48
MMP8 P22894 1/20 0.48
CA2 P00918 1/20 0.48
LMNA P02545 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
HPGD P15428 3/20 0.43
GAA P10253 1/20 0.43
TSHR P16473 1/20 0.42
ALDH1A1 P00352 3/20 0.41
ALDH2 P05091 1/20 0.41
MGLL Q99685 1/20 0.41
SIGMAR1 Q99720 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
SCHEMBL4501649 0.93 CA12 (0.52) CA12CA1CA9MMP1MMP2
SCHEMBL10795632 0.91 MGLL (0.52) CA12CA1CA9MMP1MMP2
SCHEMBL14259804 0.91 MGLL (0.52) CA12CA1CA9MMP1MMP2
SCHEMBL27497163 0.91 MGLL (0.52) CA12CA1CA9MMP1MMP2
SCHEMBL2678053 0.90 CA12 (0.56) CA12CA1CA9MMP1MMP2
SCHEMBL18373838 0.86 CA12 (0.52) CA12CA1CA9MMP1MMP2
SCHEMBL10489425 0.85 CA12 (0.48) CA12CA1CA9MMP1MMP2
SCHEMBL5143937 0.84 CA12 (0.57) CA12CA1CA9MMP1MMP2
SCHEMBL8633814 0.84 LMNA (0.44) CA12CA1CA9MMP1MMP2
SCHEMBL5143938 0.84 CA12 (0.57) CA12CA1CA9MMP1MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4697957-A1 COMPOSITION COMPRISING AN ANTIMICROBIAL AGENT AND AN ALKOXYLATED AMINE BASF SE (DE) 2026-02-25 EP disclosed
WO-2024218124-A1 COMPOSITION COMPRISING AN ANTIMICROBIAL AGENT AND AN ALKOXYLATED AMINE BASF SE (DE) 2024-10-24 WO disclosed
US-20210087167-A1 ASK1 INHIBITOR COMPOUNDS AND USES THEREOF Seal Rock Therapeutics, Inc. 2021-03-25 US disclosed
US-20090131436-A1 Pyrimidine Derivatives NOVARTIS AG (CH) 2009-05-21 US disclosed
EP-1496836-B1 N-(SUBSTITUTED BENZYL)-8-HYDROXY-1,6-NAPHTHYRIDINE-7- CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS MERCK & CO INC (US) 2008-09-24 EP 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-20210087167-A1 ASK1 INHIBITOR COMPOUNDS AND USES THEREOF ATF1, MAP3K1, ROCK1 CA12 4792/4885CA1 4338/4885CA9 4615/4885
US-20090131436-A1 Pyrimidine Derivatives DPYD, TYMP, TYMS CA12 4835/4885CA1 4875/4885CA9 4296/4885

“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.