SCHEMBL13998198

SCHEMBL13998198

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

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.67
▸ TSHR P16473 1/20 0.67
▸ KDM4E B2RXH2 2/20 0.43
▸ GLA P06280 2/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2C19 P33261 1/20 0.37
▸ OPRK1 P41145 1/20 0.35
▸ ABCB1 P08183 3/20 0.34
▸ POLB P06746 2/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ NSD2 O96028 1/20 0.33
▸ ABL1 P00519 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ RIN1 Q13671 1/20 0.33
▸ LMNA P02545 1/20 0.33

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
SCHEMBL25225894 1.00 ALDH1A1 (0.67) ALDH1A1TSHRKDM4EGLACYP3A4
SCHEMBL25271744 1.00 ALDH1A1 (0.67) ALDH1A1TSHRKDM4EGLACYP3A4
SCHEMBL13998185 0.91 ALDH1A1 (0.66) ALDH1A1TSHRKDM4EGLACYP3A4
SCHEMBL14011094 0.86 ALDH1A1 (0.70) ALDH1A1TSHRKDM4EGLACYP3A4
Harpagoside SCHEMBL893387 0.81 ALDH1A1 (1.00) ALDH1A1TSHRKDM4EGLACYP3A4
SCHEMBL23720483 0.80 ALDH1A1 (0.71) ALDH1A1TSHRKDM4EGLACYP3A4
SCHEMBL24278467 0.80 ALDH1A1 (0.71) ALDH1A1TSHRKDM4EGLACYP3A4
SCHEMBL6847752 0.79 ALDH1A1 (0.88) ALDH1A1TSHRKDM4EGLACYP3A4
SCHEMBL25229961 0.77 ALDH1A1 (0.40) ALDH1A1TSHR
SCHEMBL29425763 0.70 ALDH1A1 (0.80) ALDH1A1TSHRKDM4EGLACYP3A4

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-20080319042-A1 Compositions and methods for treatment of liver disease CALECO PHARMA CORP. 2008-12-25 — — US disclosed
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 4396/4885KDM4E 2072/4885

“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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