SCHEMBL18327243

SCHEMBL18327243

CC(C)CC(CC(=O)O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 2/20 0.47
CACNB3 P54284 1/20 0.47
CACNA1C Q13936 1/20 0.47
PGR P06401 1/20 0.47
ADRA1A P35348 1/20 0.47
HTR2B P41595 1/20 0.47
CACNA2D2 Q9NY47 1/20 0.47
MME P08473 2/20 0.38
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
RNPEP Q9H4A4 1/20 0.34
SLC7A5 Q01650 1/20 0.34
LMNA P02545 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PGD P52209 1/20 0.33
CAPN1 P07384 1/20 0.32
GABRR1 P24046 2/20 0.31
SLC22A6 Q4U2R8 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
SCHEMBL27647482 0.82 GABRR1 (0.41) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL3338524 0.79 LMNA (0.36) MMECTSSCTSKLMNASMN1; SMN2
SCHEMBL16342322 0.78 MAPT (0.36) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL29130349 0.78 SMN1; SMN2 (0.35) ADRA1ALMNASMN1; SMN2PGDSLC22A6
SCHEMBL29130353 0.78 SMN1; SMN2 (0.35) ADRA1ALMNASMN1; SMN2PGDSLC22A6
SCHEMBL18331068 0.77 CACNA2D1 (0.52) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL25098996 0.74 LMNA (0.58) LMNASMN1; SMN2
SCHEMBL25098960 0.74 LMNA (0.58) LMNASMN1; SMN2
SCHEMBL8245161 0.74 PGD (0.37) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL2873742 0.74 PGD (0.37) CACNA2D1CACNB3CACNA1CPGRADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9643911-B2 Treprostinil derivatives and compositions and uses thereof Corsair Pharma, Inc. (US) 2017-05-09 US disclosed
US-20160368855-A1 TREPROSTINIL DERIVATIVES AND COMPOSITIONS AND USES THEREOF Corsair Pharma, Inc. 2016-12-22 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 (1 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-20160368855-A1 TREPROSTINIL DERIVATIVES AND COMPOSITIONS AND USES THEREOF PTGIS, PTGIR, PDE3A CACNA2D1 4365/4885CACNB3 4718/4885CACNA1C 4809/4885

“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.