SCHEMBL31078034

SCHEMBL31078034

O=C(O)COC(COCc1ccccc1)COCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SLC1A1 P43005 3/20 0.49
▸ CA1 P00915 4/20 0.49
▸ CA2 P00918 2/20 0.49
▸ CA7 P43166 2/20 0.49
▸ CA9 Q16790 2/20 0.49
▸ TSHR P16473 1/20 0.47
▸ FOLH1 Q04609 1/20 0.47
▸ TACR1 P25103 2/20 0.44
▸ PAM P19021 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ SLC1A3 P43003 2/20 0.42
▸ SLC1A2 P43004 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ MAOB P27338 1/20 0.42

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
SCHEMBL6139421 0.92 SLC1A1 (0.48) SLC1A1CA1CA2CA7CA9
SCHEMBL9716343 0.86 PLA2G10 (0.48) —
SCHEMBL17277090 0.84 HTT (0.46) SLC1A1CA1CA2CA7CA9
SCHEMBL22661236 0.84 CA1 (0.46) SLC1A1CA1CA2CA7CA9
SCHEMBL28610357 0.82 ALDH1A1 (0.46) SLC1A1CA1CA2CA7CA9
SCHEMBL4535810 0.81 TSHR (0.58) SLC1A1CA1CA2CA7CA9
SCHEMBL25876429 0.81 FOLH1 (0.49) SLC1A1CA1CA2CA7CA9
SCHEMBL23447236 0.80 ALDH1A1 (0.54) CA1CA2CA9PAMMAPK1
SCHEMBL9575541 0.80 TSHR (0.56) SLC1A1CA1CA2CA7CA9
SCHEMBL231282 0.79 TSHR (0.61) TSHRPAMMAPK1KMT2A

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-20240287105-A1 TREPROSTINIL ANALOGS AND RELATED METHODS OF MAKING AND USING UNITED THERAPEUTICS CORPORATION (US) 2024-08-29 — — 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-20240287105-A1 TREPROSTINIL ANALOGS AND RELATED METHODS OF MAKING AND USING TYMP, TTPA, PTGIS SLC1A1 2233/4885CA1 4237/4885CA2 4775/4885

“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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