SCHEMBL20286474

SCHEMBL20286474

COCCCCC(C)C(=O)C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.39
▸ CA1 P00915 2/20 0.34
▸ TSHR P16473 1/20 0.32
▸ ACACB O00763 1/20 0.32
▸ ACACA Q13085 1/20 0.32
▸ RARB P10826 1/20 0.31
▸ LTA4H P09960 1/20 0.31
▸ GPR88 Q9GZN0 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ SMN1; SMN2 Q16637 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
SCHEMBL20286475 0.94 ALDH1A1 (0.36) ALDH1A1CA1TSHRKDM4ELMNA
SCHEMBL20286476 0.86 ALDH1A1 (0.31) ALDH1A1
SCHEMBL11375938 0.82 ALDH1A1 (0.35) ALDH1A1CA1
SCHEMBL24515841 0.78 ALDH1A1 (0.37) ALDH1A1CA1TSHR
SCHEMBL20286521 0.78 CA1 (0.57) CA1
SCHEMBL12972240 0.78 ALDH1A1 (0.43) ALDH1A1CA1TSHRACACBLTA4H
SCHEMBL12972386 0.78 LTA4H (0.50) ALDH1A1CA1LTA4H
SCHEMBL20286527 0.78 CA1 (0.38) CA1ACACBACACALTA4H
SCHEMBL28065252 0.78 LTA4H (0.50) ALDH1A1CA1LTA4H
SCHEMBL17927999 0.77 PRKCA (0.31) KDM4E

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-20180170855-A1 TREPROSTINIL DERIVATIVES AND COMPOSITIONS AND USES THEREOF Corsair Pharma, Inc. 2018-06-21 — — 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-11802105-B2 Treprostinil derivatives and compositions and uses thereof PTGIS, PTGIR, PDE3A ALDH1A1 1763/4885CA1 3759/4885TSHR 1208/4885
US-20180170855-A1 TREPROSTINIL DERIVATIVES AND COMPOSITIONS AND USES THEREOF PTGIS, PTGIR, PDE3A ALDH1A1 1763/4885CA1 3759/4885TSHR 1208/4885

“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.

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