SCHEMBL3338524

SCHEMBL3338524

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PGD P52209 1/20 0.35
CYP1A2 P05177 3/20 0.34
MAPK1 P28482 4/20 0.33
GMNN O75496 3/20 0.33
MAPT P10636 3/20 0.33
NPSR1 Q6W5P4 3/20 0.33
MEN1 O00255 2/20 0.33
HSP90AA1 P07900 2/20 0.33
BLM P54132 2/20 0.33
KMT2A Q03164 2/20 0.33
NR1H4 Q96RI1 2/20 0.33
SLC22A6 Q4U2R8 1/20 0.33
TP53 P04637 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
HIF1A Q16665 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33

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
SCHEMBL26329338 0.81
SCHEMBL27647482 0.81 GABRR1 (0.41) LMNASMN1; SMN2PGDCYP1A2SLC22A6
SCHEMBL29130353 0.81 SMN1; SMN2 (0.35) LMNASMN1; SMN2PGDCYP1A2SLC22A6
SCHEMBL29130349 0.81 SMN1; SMN2 (0.35) LMNASMN1; SMN2PGDCYP1A2SLC22A6
SCHEMBL18327243 0.79 CACNA2D1 (0.47) LMNASMN1; SMN2PGDSLC22A6CTSS
SCHEMBL25098960 0.78 LMNA (0.58) LMNASMN1; SMN2CYP1A2MAPK1GMNN
SCHEMBL25098996 0.78 LMNA (0.58) LMNASMN1; SMN2CYP1A2MAPK1GMNN
SCHEMBL28841656 0.78 POLB (0.30)
SCHEMBL3043003 0.77 LMNA (0.41) LMNASMN1; SMN2CYP1A2MAPK1GMNN
SCHEMBL24239083 0.76

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-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
JP-2010138096-A METHOD FOR PRODUCING 2-t-BUTOXYETHYL ACETATE OR 1-(t-BUTOXY)-2-PROPYL ACETATE CHISSO CORP 2010-06-24 JP disclosed
JP-2010138096-A METHOD FOR PRODUCING 2-t-BUTOXYETHYL ACETATE OR 1-(t-BUTOXY)-2-PROPYL ACETATE CHISSO CORP 2010-06-24 JP 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 LMNA 1825/4885SMN1; SMN2 3016/4885PGD 381/4885

“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.