SCHEMBL24394124

SCHEMBL24394124

C=C(CC(=O)OC1(c2cc(Cl)c(OC)c(Cl)c2)CCC1)C(=O)OCC(=O)O

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.37
▸ TSHR P16473 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ TAS1R3 Q7RTX0 1/20 0.30
▸ TAS1R1 Q7RTX1 1/20 0.30
▸ TAS1R2 Q8TE23 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
SCHEMBL24394120 0.87 ALDH1A1 (0.31) ALDH1A1
SCHEMBL24394129 0.85 PTGDR (0.31) —
SCHEMBL24393970 0.85 ALDH1A1 (0.39) ALDH1A1GAA
SCHEMBL26941611 0.81 ALDH1A1 (0.37) ALDH1A1
SCHEMBL24393975 0.81 KMT2A (0.38) —
SCHEMBL24394122 0.81 FFAR4 (0.36) —
SCHEMBL24393964 0.80 ALDH1A1 (0.30) ALDH1A1GAA
SCHEMBL24394121 0.80 LMNA (0.33) —
SCHEMBL26941609 0.79 ALDH1A1 (0.37) ALDH1A1
SCHEMBL24393977 0.79 KMT2A (0.35) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230399289-A1 ITACONIC ACID DERIVATIVES SITRYX THERAPEUTICS LIMITED (GB) 2023-12-14 — — US disclosed
US-20230399289-A1 ITACONIC ACID DERIVATIVES SITRYX THERAPEUTICS LIMITED (GB) 2023-12-14 — — US disclosed
WO-2022090723-A1 ITACONIC ACID DERIVATIVES SITRYX THERAPEUTICS LIMITED (GB) 2022-05-05 — — WO 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-20230399289-A1 ITACONIC ACID DERIVATIVES IL1R1, LRBA, HCAR1 ALDH1A1 28/4885TSHR 2127/4885KDM4E 3316/4885

“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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