SCHEMBL31671374

SCHEMBL31671374

C=CCCC(C)(C(=O)O)c1cccc(Br)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OGG1 O15527 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.39
▸ TSHR P16473 1/20 0.39
▸ KIF11 P52732 1/20 0.37
▸ TGM2 P21980 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ HSD17B3 P37058 1/20 0.36
▸ SLC6A19 Q695T7 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ PTGFR P43088 6/20 0.35
▸ HDAC3 O15379 1/20 0.34
▸ HDAC4 P56524 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC7 Q8WUI4 1/20 0.34
▸ HDAC2 Q92769 1/20 0.34
▸ HDAC10 Q969S8 1/20 0.34
▸ HDAC11 Q96DB2 1/20 0.34

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
SCHEMBL31625977 0.86 ALDH1A1 (0.47) OGG1ALDH1A1TSHRKIF11TGM2
SCHEMBL27266784 0.86 ALDH1A1 (0.47) OGG1ALDH1A1TSHRKIF11TGM2
SCHEMBL31671328 0.85 OGG1 (0.41) OGG1ALDH1A1TGM2MEN1KMT2A
SCHEMBL29336758 0.84 ALDH1A1 (0.50) ALDH1A1TSHRMEN1KMT2ASMN1; SMN2
SCHEMBL30750005 0.83 OGG1 (0.40) OGG1ALDH1A1TGM2MEN1KMT2A
SCHEMBL8644325 0.82 MEN1 (0.42) ALDH1A1KIF11MEN1KMT2ASMN1; SMN2
SCHEMBL31671261 0.80 ALDH1A1 (0.36) OGG1ALDH1A1TSHRKIF11TGM2
SCHEMBL31758886 0.80 CA1 (0.39) ALDH1A1KIF11MEN1KMT2ASMN1; SMN2
SCHEMBL30750083 0.80 KIF11 (0.38) ALDH1A1KIF11MEN1KMT2ASMN1; SMN2
SCHEMBL31320998 0.79 RIPK1 (0.44) ALDH1A1KIF11MEN1KMT2ASMN1; SMN2

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-20250248975-A1 MACROCYCLIC COMPOUNDS, COMPOSITIONS, AND METHODS OF USING THEREOF SCHRODINGER, LLC 2025-08-07 — — 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-20250248975-A1 MACROCYCLIC COMPOUNDS, COMPOSITIONS, AND METHODS OF USING THEREOF CFTR, ABCB1, PKD1 OGG1 3809/4885ALDH1A1 3545/4885TSHR 2935/4885

“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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