SCHEMBL19787617

SCHEMBL19787617

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

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
PIK3CD O00329 1/20 0.32
HMGCR P04035 1/20 0.32
CHRM1 P11229 1/20 0.32
TBXA2R P21731 1/20 0.32
ADRA1A P35348 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL10074939 0.85 L3MBTL1 (0.31) ALDH1A1HMGCRCHRM1TBXA2RADRA1A
SCHEMBL23267828 0.81 ALDH1A1 (0.32) ALDH1A1HMGCRCHRM1TBXA2RADRA1A
SCHEMBL25530283 0.80
SCHEMBL22013342 0.76 GRM4 (0.31)
SCHEMBL13316716 0.74 ALDH1A1 (0.47) ALDH1A1HMGCRCHRM1TBXA2RADRA1A
SCHEMBL502971 0.73 ALDH1A1 (0.32) ALDH1A1HMGCRCHRM1TBXA2RADRA1A
SCHEMBL12463880 0.72 ALDH1A1 (0.33) ALDH1A1HMGCRCHRM1TBXA2RADRA1A
SCHEMBL25979247 0.72 KDM4E (0.43)
SCHEMBL13172935 0.71 FFAR3 (0.37) ALDH1A1HMGCRCHRM1TBXA2RADRA1A
SCHEMBL2625537 0.71

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-11802105-B2 Treprostinil derivatives and compositions and uses thereof Corsair Pharma, Inc. (US) 2023-10-31 US disclosed
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 (2 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 ALDH1A1 1763/4885PIK3CD 1627/4885HMGCR 1730/4885
US-11802105-B2 Treprostinil derivatives and compositions and uses thereof PTGIS, PTGIR, PDE3A ALDH1A1 1763/4885PIK3CD 1627/4885HMGCR 1730/4885

“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.