SCHEMBL19499076

SCHEMBL19499076

CC(C)c1ccc2occ(C(C)(C)C)c2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 1/20 0.51
▸ MAPT P10636 7/20 0.39
▸ TP53 P04637 4/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ THRB P10828 4/20 0.38
▸ POLB P06746 2/20 0.37
▸ HPGD P15428 1/20 0.37
▸ TBK1 Q9UHD2 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ GSK3B P49841 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ LMNA P02545 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ TRPA1 O75762 1/20 0.32
▸ PTGS1 P23219 1/20 0.32

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
SCHEMBL15912346 0.77 PTPN1 (0.55) PTPN1MAPTTP53SMN1; SMN2THRB
SCHEMBL2707035 0.77 PON1 (0.41) MAPTPOLBHPGDKDM4EMEN1
SCHEMBL787854 0.77 PTPN1 (0.55) PTPN1MAPTTP53SMN1; SMN2THRB
SCHEMBL28501238 0.75 ALDH1A1 (0.47) MAPTSMN1; SMN2POLBHPGDKDM4E
SCHEMBL22515652 0.75 PTPN1 (0.54) PTPN1MAPTTP53SMN1; SMN2THRB
SCHEMBL28883966 0.75 PTPN1 (0.54) PTPN1MAPTTP53SMN1; SMN2THRB
SCHEMBL13437134 0.75 PTPN1 (0.46) PTPN1POLBHPGDKDM4EKMT2A
SCHEMBL12974550 0.72 PTPN1 (0.51) PTPN1MAPTTP53SMN1; SMN2THRB
SCHEMBL25881887 0.70 MEN1 (0.37) PTPN1MAPTTP53SMN1; SMN2TBK1
SCHEMBL28603006 0.70 PTPN1 (0.64) PTPN1MAPTTP53SMN1; SMN2THRB

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-20170304272-A1 ISOXAZOLE DERIVATIVES AS FXR AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. 2017-10-26 — — 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-20170304272-A1 ISOXAZOLE DERIVATIVES AS FXR AGONISTS AND METHODS OF USE THEREOF FXR1, SLC10A1, NR1H4 PTPN1 1392/4885MAPT 3949/4885TP53 4791/4885

“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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