SCHEMBL10028440

SCHEMBL10028440

CCOC(=O)C1C(=O)C[C@@H](CCc2ccccc2)O[C@H]1CCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.46
CYP2C19 P33261 2/20 0.46
ALDH1A1 P00352 2/20 0.42
HTT P42858 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TSHR P16473 1/20 0.41
TP53 P04637 1/20 0.41
NPEPPS P55786 2/20 0.40
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
POLB P06746 1/20 0.38
PPARG P37231 2/20 0.38
PPARA Q07869 2/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL6069900 0.76 TSHR (0.57) CYP3A4CYP2C19ALDH1A1L3MBTL1TSHR
SCHEMBL6069907 0.76 TSHR (0.57) CYP3A4CYP2C19ALDH1A1L3MBTL1TSHR
SCHEMBL6069915 0.76 TSHR (0.57) CYP3A4CYP2C19ALDH1A1L3MBTL1TSHR
SCHEMBL13699311 0.68 TSHR (0.48) CYP3A4CYP2C19ALDH1A1L3MBTL1TSHR
SCHEMBL13699230 0.68 TSHR (0.48) CYP3A4CYP2C19ALDH1A1L3MBTL1TSHR
SCHEMBL13699375 0.68 CA12 (0.50) ALDH1A1L3MBTL1MEN1KMT2APOLB
SCHEMBL13699279 0.68 CA12 (0.50) ALDH1A1L3MBTL1MEN1KMT2APOLB
SCHEMBL13699280 0.68 CA12 (0.50) ALDH1A1L3MBTL1MEN1KMT2APOLB
SCHEMBL17490913 0.68 ALDH1A1 (0.56) CYP3A4CYP2C19ALDH1A1HTTL3MBTL1
SCHEMBL7804819 0.67 MEN1 (0.55) ALDH1A1MEN1KMT2APOLB

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-20120040916-A1 MOLECULAR INHIBITORS OF THE WNT/BETA-CATENIN PATHWAY MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2012-02-16 US disclosed
US-20120040916-A1 MOLECULAR INHIBITORS OF THE WNT/BETA-CATENIN PATHWAY MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2012-02-16 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-20120040916-A1 MOLECULAR INHIBITORS OF THE WNT/BETA-CATENIN PATHWAY WNT1, CTNNB1, WNT3A CYP3A4 2995/4885CYP2C19 3624/4885ALDH1A1 1645/4885

“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.