SCHEMBL19787642

SCHEMBL19787642

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 11/20 0.43
PPARG P37231 6/20 0.38
PPARD Q03181 6/20 0.38
PPARA Q07869 6/20 0.38
HDAC11 Q96DB2 5/20 0.38
TSHR P16473 4/20 0.38
ALDH1A1 P00352 2/20 0.38
TLR2 O60603 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
FABP4 P15090 2/20 0.38
PTPN1 P18031 2/20 0.38
SLC22A6 Q4U2R8 1/20 0.38
SLC22A8 Q8TCC7 1/20 0.38
MEN1 O00255 1/20 0.38
ESR1 P03372 1/20 0.38
ALOX15 P16050 1/20 0.38
PDE4A P27815 1/20 0.38
KMT2A Q03164 1/20 0.38
PDE3A Q14432 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL21234083 1.00 GPR84 (0.43) GPR84PPARGPPARDPPARAHDAC11
SCHEMBL18827435 0.85 GPR84 (0.42) GPR84PPARGPPARDPPARAHDAC11
Propionic Acid SCHEMBL4656190 0.79 GRIK1 (0.38) GPR84PPARGPPARDPPARAHDAC11
SCHEMBL15578250 0.74 LMNA (0.36) TSHR
SCHEMBL554730 0.74 LMNA (0.36) TSHR
SCHEMBL4940464 0.72 FDPS (0.33)
SCHEMBL2873742 0.72 PGD (0.37) TSHRTDP1SLC22A6ALOX15
Ethyl Acetate SCHEMBL3213147 0.71 MAPT (0.44) ALDH1A1MEN1KMT2AHSD17B10
SCHEMBL24008653 0.71 TSHR (0.33) TSHR
SCHEMBL4655855 0.71 OPRM1 (0.38) TSHRALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180016222-A1 TREPROSTINIL DERIVATIVES AND COMPOSITIONS AND USES THEREOF Corsair Pharma, Inc. 2018-01-18 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-20180016222-A1 TREPROSTINIL DERIVATIVES AND COMPOSITIONS AND USES THEREOF PTGIS, PTGIR, PDE3A GPR84 1832/4885PPARG 85/4885PPARD 182/4885

“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.