SCHEMBL8060423

SCHEMBL8060423

COC(=O)[C@@H](O)CC(C)=O

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
TDP1 Q9NUW8 2/20 0.42
MGAM O43451 1/20 0.40
GAA P10253 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
KMT2A Q03164 2/20 0.34
CA14 Q9ULX7 2/20 0.33
ZDHHC7 Q9NXF8 1/20 0.32
TSHR P16473 1/20 0.32
CA12 O43570 1/20 0.31
LMNA P02545 1/20 0.31
HSD17B10 Q99714 1/20 0.31
ESRRB O95718 1/20 0.30

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
SCHEMBL8060426 1.00 ALDH1A1 (0.42) ALDH1A1TDP1MGAMGAASI
SCHEMBL1691025 0.80 TSHR (0.43) MGAMGAASIMGAM2SMN1; SMN2
SCHEMBL206973 0.80 SMN1; SMN2 (0.52) TDP1SMN1; SMN2CA1CA2KMT2A
SCHEMBL1823637 0.80 TSHR (0.43) MGAMGAASIMGAM2SMN1; SMN2
SCHEMBL222024 0.80 SMN1; SMN2 (0.52) TDP1SMN1; SMN2CA1CA2KMT2A
SCHEMBL205700 0.80 TSHR (0.43) MGAMGAASIMGAM2SMN1; SMN2
SCHEMBL9040323 0.80 SMN1; SMN2 (0.52) TDP1SMN1; SMN2CA1CA2KMT2A
SCHEMBL6061378 0.78 TSHR (0.42) MGAMGAASIMGAM2SMN1; SMN2
SCHEMBL7491734 0.78 SMN1; SMN2 (0.37) ALDH1A1SMN1; SMN2CA1CA2KMT2A
Ammonia Solution, Strong SCHEMBL21219123 0.78 SMN1; SMN2 (0.50) TDP1SMN1; SMN2CA1CA2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170259099-A1 SILICON-CONTAINING ORGANIC ACID DERIVATIVES AS ENVIRONMENTALLY FRIENDLY AFFF EXTINGUISHING AGENTS UNIVERSITÄT ZU KÖLN (DE) 2017-09-14 US disclosed
US-20170157116-A1 METHODS AND COMPOSITIONS FOR PREVENTING OPIOID ABUSE CURIA BUFFALO R&D, LLC 2017-06-08 US disclosed
US-20170151232-A1 METHODS AND COMPOSITIONS FOR PREVENTING OPIOID ABUSE CURIA BUFFALO R&D, LLC 2017-06-01 US disclosed
US-20160326182-A1 METHODS AND COMPOSITIONS FOR PREVENTING OPIOID ABUSE CURIA BUFFALO R&D, LLC 2016-11-10 US disclosed
EP-0620857-B1 SYNTHESIS OF HOMOCHIRAL 2-HYDROXY ACIDS GENZYME LTD (GB) 2000-08-02 EP disclosed
US-5686275-A LACTATE DEHYDROGENASE GENZYME LTD. (GB) 1997-11-11 US disclosed
EP-0620857-A1 SYNTHESIS OF HOMOCHIRAL 2-HYDROXY ACIDS Genzyme Limited (GB) 1994-10-26 EP disclosed
WO-1993013215-A1 SYNTHESIS OF HOMOCHIRAL 2-HYDROXY ACIDS GENZYME LIMITED (GB) 1993-07-08 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 (3 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-20160326182-A1 METHODS AND COMPOSITIONS FOR PREVENTING OPIOID ABUSE OPRM1, OPRK1, OPRD1 ALDH1A1 66/4885TDP1 3101/4885MGAM 2677/4885
US-20170157116-A1 METHODS AND COMPOSITIONS FOR PREVENTING OPIOID ABUSE OPRM1, OPRK1, OPRD1 ALDH1A1 66/4885TDP1 3101/4885MGAM 2677/4885
US-20170151232-A1 METHODS AND COMPOSITIONS FOR PREVENTING OPIOID ABUSE OPRM1, OPRK1, OPRD1 ALDH1A1 66/4885TDP1 3101/4885MGAM 2677/4885

“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.