SCHEMBL18952939

SCHEMBL18952939

CCCC1CCCN1OC(C)=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.34
POLB P06746 2/20 0.34
S1PR1 P21453 2/20 0.33
S1PR3 Q99500 2/20 0.33
S1PR5 Q9H228 2/20 0.33
S1PR4 O95977 1/20 0.33
ALDH1A1 P00352 1/20 0.33
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32
PSENEN Q9NZ42 1/20 0.32
ATM Q13315 2/20 0.32
GAA P10253 1/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL28605642 0.83 ALDH1A1 (0.35) L3MBTL1POLBS1PR1S1PR3S1PR5
SCHEMBL28836804 0.81 L3MBTL1 (0.35) L3MBTL1POLBALDH1A1CHRNB2CHRNA5
SCHEMBL7704576 0.81 MAPT (0.38) ALDH1A1MEN1MAPTKMT2ASMN1; SMN2
SCHEMBL28112847 0.80 CYP1A2 (0.31)
SCHEMBL28113438 0.76 HTT (0.32) L3MBTL1POLBALDH1A1MEN1KMT2A
SCHEMBL28112857 0.76 HTT (0.32) L3MBTL1POLBALDH1A1MEN1KMT2A
SCHEMBL23673655 0.73 ALDH1A1 (0.38) L3MBTL1POLBS1PR1S1PR3S1PR5
SCHEMBL13560153 0.73 POLB (0.46) L3MBTL1POLB
SCHEMBL27929797 0.72 ACHE (0.34) ALDH1A1GAAMEN1KMT2ASMN1; SMN2
Acetic Acid SCHEMBL30330984 0.71 CYP1A2 (0.46) S1PR1S1PR3S1PR5S1PR4ALDH1A1

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-11360095-B2 Isobaric mass labels ELECTROPHORETICS LIMITED (GB) 2022-06-14 US disclosed
US-20180364244-A1 ISOBARIC MASS LABELS ELECTROPHORETICS LIMITED (GB) 2018-12-20 US disclosed
EP-3387435-A1 ISOBARIC MASS LABELS Electrophoretics Limited (GB) 2018-10-17 EP disclosed
WO-2017098031-A1 ISOBARIC MASS LABELS ELECTROPHORETICS LIMITED (GB) 2017-06-15 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 (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-11360095-B2 Isobaric mass labels SRMS, PTMS, QPCTL L3MBTL1 102/4885POLB 2893/4885S1PR1 4025/4885
US-20180364244-A1 ISOBARIC MASS LABELS SRMS, PTMS, QPCTL L3MBTL1 102/4885POLB 2893/4885S1PR1 4025/4885

“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.