SCHEMBL578604

SCHEMBL578604

CCCC(C)(CO)COC(=O)NC(C)C

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.73
TSHR P16473 2/20 0.73
CYP3A4 P08684 1/20 0.73
NFKB1 P19838 1/20 0.73
ADRA1A P35348 1/20 0.73
RAB9A P51151 1/20 0.73
TDP1 Q9NUW8 1/20 0.73
HSD17B10 Q99714 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.36
CTSK P43235 8/20 0.35
MEN1 O00255 1/20 0.32
FAAH O00519 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CTSL P07711 2/20 0.31
CTSS P25774 2/20 0.31
CTSB P07858 1/20 0.31
CTSH P09668 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
SCHEMBL29464244 0.92 LMNA (0.85) LMNATSHRCYP3A4NFKB1ADRA1A
SCHEMBL13415141 0.88 TSHR (0.57) LMNATSHRCYP3A4NFKB1ADRA1A
SCHEMBL27745846 0.87 LMNA (0.59) LMNATSHRCYP3A4NFKB1ADRA1A
Carisoprodol SCHEMBL2232476 0.84 TSHR (1.00) LMNATSHRCYP3A4NFKB1ADRA1A
Carisoprodol SCHEMBL158375 0.84 TSHR (1.00) LMNATSHRCYP3A4NFKB1ADRA1A
Carisoprodol SCHEMBL33286 0.84 TSHR (1.00) LMNATSHRCYP3A4NFKB1ADRA1A
Carisoprodol SCHEMBL8379174 0.84 TSHR (1.00) LMNATSHRCYP3A4NFKB1ADRA1A
Carisoprodol SCHEMBL23856096 0.83 TSHR (0.97) LMNATSHRCYP3A4NFKB1ADRA1A
Carisoprodol SCHEMBL10448685 0.83 TSHR (0.97) LMNATSHRCYP3A4NFKB1ADRA1A
Carisoprodol SCHEMBL21633327 0.83 TSHR (0.97) LMNATSHRCYP3A4NFKB1ADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103641744-B The synthetic method of carisoprodol intermediate compound SHANDONG XINQUAN PHARMACEUTICAL CO., LTD. (CN) 2016-02-24 CN claimed
EP-2418492-B1 Immunoreagent for meprobamate RANDOX LABORATORIES LTD (GB) 2018-10-10 EP disclosed
CN-103641744-B The synthetic method of carisoprodol intermediate compound SHANDONG XINQUAN PHARMACEUTICAL CO., LTD. (CN) 2016-02-24 CN disclosed
CN-103641744-A Synthesis method of carisoprodol intermediate compound SHANDONG XINQUAN PHARMACEUTICAL CO LTD 2014-03-19 CN disclosed
CN-102531965-A Synthesis method for carisoprodol SHANDONG XINQUAN MEDICINE CO LTD 2012-07-04 CN disclosed
US-20120040378-A1 Meprobromate Immunoassay RANDOX LABORATORIES LIMITED (GB) 2012-02-16 US disclosed
US-20120040378-A1 Meprobromate Immunoassay RANDOX LABORATORIES LIMITED (GB) 2012-02-16 US disclosed
EP-2418492-A1 Meprobamate immunoassay Randox Laboratories Ltd. (GB) 2012-02-15 EP disclosed
EP-2418492-A1 Meprobamate immunoassay Randox Laboratories Ltd. (GB) 2012-02-15 EP disclosed
US-20100076074-A1 CARBAMATE REDUCERS OF SKELETAL MUSCLE TENSION AUSPEX PHARMACEUTICALS, INC. (US) 2010-03-25 US disclosed
US-20100076074-A1 CARBAMATE REDUCERS OF SKELETAL MUSCLE TENSION AUSPEX PHARMACEUTICALS, INC. (US) 2010-03-25 US disclosed
US-20100076074-A1 CARBAMATE REDUCERS OF SKELETAL MUSCLE TENSION AUSPEX PHARMACEUTICALS, INC. (US) 2010-03-25 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-20100076074-A1 CARBAMATE REDUCERS OF SKELETAL MUSCLE TENSION TNNC1, MUSK, MYLK2 LMNA 2320/4885TSHR 1260/4885CYP3A4 567/4885
US-20120040378-A1 Meprobromate Immunoassay MEP1B, CES2, MEP1A LMNA 4619/4885TSHR 740/4885CYP3A4 22/4885

“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.