SCHEMBL2691986

SCHEMBL2691986

CCCOC(=O)OCC1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.47
CYP1A2 P05177 1/20 0.41
SLC1A3 P43003 2/20 0.37
SLC1A2 P43004 2/20 0.37
SLC1A1 P43005 2/20 0.37
PPM1B O75688 1/20 0.36
PTPN1 P18031 1/20 0.36
PPP1CC P36873 1/20 0.36
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
ALOX5 P09917 1/20 0.35
EPHX1 P07099 1/20 0.35
PARP15 Q460N3 1/20 0.35
PARP10 Q53GL7 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL2908390 0.89 LMNA (0.45) LMNACYP1A2EPHX1SMN1; SMN2
Hydrazine SCHEMBL27362819 0.86 LMNA (0.42) LMNACYP1A2EPHX1PARP15PARP10
SCHEMBL1669840 0.86 LMNA (0.59) LMNASLC1A3SLC1A2SLC1A1ALOX5
SCHEMBL3117465 0.85 ALDH1A1 (0.52) LMNASLC1A3SLC1A2SLC1A1
SCHEMBL23129641 0.84 LMNA (0.57) LMNASLC1A3SLC1A2SLC1A1ALOX5
SCHEMBL1672623 0.84 LMNA (0.55) LMNASLC1A3SLC1A2SLC1A1ALOX5
SCHEMBL1439244 0.82 ALDH1A1 (0.54) LMNASLC1A3SLC1A2SLC1A1
SCHEMBL25381860 0.80 LMNA (0.50) LMNASLC1A3SLC1A2SLC1A1ALOX5
SCHEMBL4630436 0.79 LMNA (0.52) LMNASLC1A3SLC1A2SLC1A1ALOX5
SCHEMBL698391 0.79 LMNA (0.52) LMNASLC1A3SLC1A2SLC1A1ALOX5

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
US-4731362-A Alkylcarbamoyloxymethylcephem compounds SHIONOGI & CO., LTD. (JP) 1988-03-15 US claimed
US-8168617-B2 Complex pantoic acid ester neopentyl sulfonyl ester cyclization release prodrugs of acamprosate, compositions thereof, and methods of use XENOPORT, INC. (US) 2012-05-01 US disclosed
US-20090076147-A1 COMPLEX PANTOIC ACID ESTER NEOPENTYL SULFONYL ESTER CYCLIZATION RELEASE PRODRUGS OF ACAMPROSATE, COMPOSITIONS THEREOF, AND METHODS OF USE XENOPORT, INC. 2009-03-19 US disclosed
US-6677331-B2 HAVING SUBSTITUTED IMIDAZO(5,1-B)THIAZOLE GROUP AT 2-POSITION; MICROBIOCIDES AGAINST BETA-LACTAMASE PRODUCING BACTERIA AND RESISTANT PSEUDOMONAS MEIJI SEIKA KAISHA, LTD. (JP) 2004-01-13 US disclosed
US-20030149016-A1 Novel carbapenem derivatives KANO YUKO (JP) 2003-08-07 US disclosed
EP-1101766-A1 NOVEL CARBAPENEM DERIVATIVES MEIJI SEIKA KAISHA LTD. (JP) 2001-05-23 EP disclosed
US-4731362-A Alkylcarbamoyloxymethylcephem compounds SHIONOGI & CO., LTD. (JP) 1988-03-15 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-20090076147-A1 COMPLEX PANTOIC ACID ESTER NEOPENTYL SULFONYL ESTER CYCLIZATION RELEASE PRODRUGS OF ACAMPROSATE, COMPOSITIONS THEREOF, AND METHODS OF USE ADSL, SLC19A1, SLC25A21 LMNA 2544/4885CYP1A2 1489/4885SLC1A3 74/4885
US-20030149016-A1 Novel carbapenem derivatives DPEP1, TMPRSS15, STK35 LMNA 2043/4885CYP1A2 2616/4885SLC1A3 3952/4885

“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.