SCHEMBL14011094

SCHEMBL14011094

C[C@]1(OC(=O)/C=C/c2ccccc2)C[C@@H](O)[C@]2(O)C=CO[C@@H](OCCl)[C@@H]21

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.70
▸ TSHR P16473 1/20 0.70
▸ GLA P06280 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2C19 P33261 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ OPRK1 P41145 1/20 0.32
▸ MCL1 Q07820 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ ABCB1 P08183 3/20 0.32
▸ TRPC1 P48995 1/20 0.32
▸ TRPC4 Q9UBN4 1/20 0.32
▸ MGLL Q99685 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL13998198 0.86 ALDH1A1 (0.67) ALDH1A1TSHRGLAKDM4ECYP3A4
SCHEMBL25225894 0.86 ALDH1A1 (0.67) ALDH1A1TSHRGLAKDM4ECYP3A4
SCHEMBL25271744 0.86 ALDH1A1 (0.67) ALDH1A1TSHRGLAKDM4ECYP3A4
SCHEMBL13998185 0.85 ALDH1A1 (0.66) ALDH1A1TSHRGLAKDM4ECYP3A4
Harpagoside SCHEMBL893387 0.82 ALDH1A1 (1.00) ALDH1A1TSHRGLAKDM4ECYP3A4
SCHEMBL23720483 0.81 ALDH1A1 (0.71) ALDH1A1TSHRGLAKDM4ECYP3A4
SCHEMBL24278467 0.81 ALDH1A1 (0.71) ALDH1A1TSHRGLAKDM4ECYP3A4
SCHEMBL6847752 0.81 ALDH1A1 (0.88) ALDH1A1TSHRGLAKDM4ECYP3A4
SCHEMBL29425763 0.71 ALDH1A1 (0.80) ALDH1A1TSHRGLAKDM4ECYP3A4
SCHEMBL14137980 0.67 ALDH1A1 (0.41) ALDH1A1TSHRCYP2C19POLBNPSR1

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-20080319042-A1 Compositions and methods for treatment of liver disease CALECO PHARMA CORP. 2008-12-25 — — 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-20080319042-A1 Compositions and methods for treatment of liver disease HCCS, HAVCR2, PYGL ALDH1A1 1067/4885TSHR 4396/4885GLA 1048/4885

“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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