SCHEMBL20286476

SCHEMBL20286476

COCCC(C)C(=O)C(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ KMT2A Q03164 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
SCHEMBL20286475 0.88 ALDH1A1 (0.36) ALDH1A1KMT2A
SCHEMBL20286474 0.86 ALDH1A1 (0.39) ALDH1A1
SCHEMBL17927999 0.82 PRKCA (0.31) —
SCHEMBL5021517 0.81 GABRR1 (0.40) ALDH1A1CYP1A2
SCHEMBL11460322 0.80 FDPS (0.32) —
SCHEMBL10195558 0.78 — —
SCHEMBL17927950 0.78 KDM4E (0.31) ALDH1A1
SCHEMBL10157900 0.75 ALDH1A1 (0.33) ALDH1A1
SCHEMBL13905889 0.75 DPP4 (0.35) CYP1A2
SCHEMBL14519713 0.75 CHRM1 (0.39) —

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 1763/4885MEN1 1220/4885NPC1 2695/4885
US-20180170855-A1 TREPROSTINIL DERIVATIVES AND COMPOSITIONS AND USES THEREOF PTGIS, PTGIR, PDE3A ALDH1A1 1763/4885MEN1 1220/4885NPC1 2695/4885

“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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