SCHEMBL19636725

SCHEMBL19636725

CC(CC(=O)O)NCCNC(C)CC(=O)O

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC22A6 Q4U2R8 1/20 0.39
TDP1 Q9NUW8 2/20 0.38
MAPT P10636 2/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
PTGS2 P35354 1/20 0.38
CACNA2D1 P54289 2/20 0.37
CACNB3 P54284 1/20 0.37
CACNA1C Q13936 1/20 0.37
PGR P06401 1/20 0.37
ADRA1A P35348 1/20 0.37
HTR2B P41595 1/20 0.37
CACNA2D2 Q9NY47 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
BHMT Q93088 1/20 0.34

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
SCHEMBL7898984 0.88 SLC6A4 (0.37) SLC22A6TDP1MAPTALDH1A1LMNA
SCHEMBL11136905 0.88 SIGMAR1 (0.42) SLC22A6TDP1MAPTALDH1A1LMNA
SCHEMBL10527389 0.88 ECE1 (0.42) SLC22A6LMNA
SCHEMBL8999507 0.86 GABRR1 (0.41) LMNACACNA2D1CACNB3CACNA1CPGR
SCHEMBL11134700 0.84 GPR84 (0.42)
SCHEMBL8061118 0.84 TDP1 (0.43) SLC22A6TDP1MAPTALDH1A1LMNA
SCHEMBL20006676 0.84
SCHEMBL31688579 0.83 CACNA2D1 (0.38) ALDH1A1LMNACACNA2D1CACNB3CACNA1C
SCHEMBL31688673 0.83 CACNA2D1 (0.38) ALDH1A1LMNACACNA2D1CACNB3CACNA1C
SCHEMBL31513317 0.83 CACNA2D1 (0.38) ALDH1A1LMNACACNA2D1CACNB3CACNA1C

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-20230348347-A1 METHOD AND APPARATUS FOR SELECTIVE ALCOHOL UPGRADING AIR COMPANY HOLDINGS, INC. 2023-11-02 US disclosed
US-11052164-B2 Compositions and associated methods for radioisotope-binding microparticles BIOSPHERE MEDICAL, INC. (US) 2021-07-06 US disclosed
US-10434200-B2 Compositions and associated methods for radioisotope-binding microparticles BIOSPHERE MEDICAL, INC. (US) 2019-10-08 US disclosed
US-20170333579-A1 COMPOSITIONS AND ASSOCIATED METHODS FOR RADIOISOTOPE-BINDING MICROPARTICLES WELLS FARGO BANK, NATIONAL ASSOCIATION, AS ADMINISTRATIVE AGENT 2017-11-23 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 (4 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-20230348347-A1 METHOD AND APPARATUS FOR SELECTIVE ALCOHOL UPGRADING ADH1C, ADH1A, ADH5 SLC22A6 4533/4885TDP1 2184/4885MAPT 1705/4885
US-11052164-B2 Compositions and associated methods for radioisotope-binding microparticles CD47, CD68, MPI SLC22A6 2420/4885TDP1 1488/4885MAPT 4174/4885
US-20170333579-A1 COMPOSITIONS AND ASSOCIATED METHODS FOR RADIOISOTOPE-BINDING MICROPARTICLES CD47, CD68, MPI SLC22A6 2420/4885TDP1 1488/4885MAPT 4174/4885
US-10434200-B2 Compositions and associated methods for radioisotope-binding microparticles CD47, CD68, MPI SLC22A6 2420/4885TDP1 1488/4885MAPT 4174/4885

“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.