SCHEMBL20824829

SCHEMBL20824829

CC(C)c1ccccc1/C=C/C(=O)Oc1ccc(/C=C/C(=O)OC(C)(C)C)c(C(C)C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 3/20 0.42
▸ LMNA P02545 2/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ NR1I2 O75469 1/20 0.40
▸ PGR P06401 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ ADORA3 P0DMS8 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ SLC6A2 P23975 1/20 0.40
▸ TBXAS1 P24557 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ DRD3 P35462 1/20 0.40
▸ OPRK1 P41145 1/20 0.40
▸ PDE4D Q08499 1/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ ESR1 P03372 3/20 0.36
▸ KMT2A Q03164 4/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ TRPV1 Q8NER1 1/20 0.36

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
SCHEMBL23384606 0.90 LMNA (0.41) MAOBLMNAL3MBTL1HTTNR1I2
SCHEMBL12680694 0.89 LMNA (0.46) MAOBLMNAL3MBTL1HTTNR1I2
SCHEMBL13389343 0.89 LMNA (0.46) MAOBLMNAL3MBTL1HTTNR1I2
SCHEMBL22590248 0.78 MEN1 (0.38) MAOBLMNAL3MBTL1ESR1KMT2A
SCHEMBL22848333 0.76 LMNA (0.43) MAOBLMNAL3MBTL1HTTNR1I2
SCHEMBL29671313 0.76 LMNA (0.43) MAOBLMNAL3MBTL1HTTNR1I2
SCHEMBL5474595 0.76 LMNA (0.53) MAOBLMNAHTTNR1I2PGR
SCHEMBL5474591 0.76 LMNA (0.53) MAOBLMNAHTTNR1I2PGR
SCHEMBL13299432 0.73 KDM4E (0.47) MAOBLMNAL3MBTL1HTTCYP2C9
SCHEMBL19244424 0.73 AR (0.51) LMNAL3MBTL1HTTNR1I2PGR

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-10450277-B2 Analogs of fexaramine and methods of making and using THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2019-10-22 — — US disclosed
US-20190084939-A1 ANALOGS OF FEXARAMINE AND METHODS OF MAKING AND USING SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2019-03-21 — — 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 (2 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-10450277-B2 Analogs of fexaramine and methods of making and using FXR2, FXR1, SLC10A2 MAOB 426/4885LMNA 4205/4885L3MBTL1 4386/4885
US-20190084939-A1 ANALOGS OF FEXARAMINE AND METHODS OF MAKING AND USING FXR2, FXR1, SLC10A2 MAOB 426/4885LMNA 4205/4885L3MBTL1 4386/4885

“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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