SCHEMBL17755901

SCHEMBL17755901

Cc1noc(C(C)C(C)C(=O)O)c1C

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ APAF1 O14727 1/20 0.31
▸ LPAR1 Q92633 1/20 0.31
▸ LPAR3 Q9UBY5 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ AGTR1 P30556 1/20 0.31
▸ EDNRA P25101 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
SCHEMBL2737312 0.71 SMN1; SMN2 (0.32) ALDH1A1KDM4EGAAMAPTAGTR1
SCHEMBL17755874 0.70 GRIA1 (0.35) —
SCHEMBL17755900 0.66 APAF1 (0.40) ALDH1A1L3MBTL1APAF1
SCHEMBL3657281 0.65 TRPA1 (0.42) ALDH1A1L3MBTL1KDM4EGAAMAPT
SCHEMBL16021532 0.65 — —
SCHEMBL10720644 0.64 MAPT (0.35) ALDH1A1L3MBTL1GAAMAPT
SCHEMBL2131959 0.63 HCAR2 (0.39) EPHX2ALDH1A1GAAEDNRA
SCHEMBL7826668 0.63 GAA (0.36) ALDH1A1L3MBTL1KDM4EGAAMAPT
SCHEMBL7030589 0.62 ALDH1A1 (0.33) ALDH1A1L3MBTL1LPAR1LPAR3KDM4E
SCHEMBL19240419 0.60 POLB (0.46) ALDH1A1L3MBTL1KDM4EGAAMAPT

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-20160137639-A1 TRIAZOLE-ISOXAZOLE COMPOUND AND MEDICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2016-05-19 — — 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-20160137639-A1 TRIAZOLE-ISOXAZOLE COMPOUND AND MEDICAL USE THEREOF CYP3A7, CYP2C19, CYP3A5 EPHX2 3022/4885ALDH1A1 560/4885L3MBTL1 4739/4885

“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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