SCHEMBL22837124

SCHEMBL22837124

CC(C)(C)CCOc1ccc(C(=O)C(C)(C)C)cn1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.46
▸ EPHX2 P34913 9/20 0.46
▸ NNMT P40261 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ GRN P28799 1/20 0.41
▸ SORT1 Q99523 1/20 0.41
▸ KCNH2 Q12809 2/20 0.40
▸ SCN5A Q14524 2/20 0.40
▸ SCN9A Q15858 2/20 0.40
▸ IDO1 P14902 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
SCHEMBL22837119 0.93 MAPT (0.45) MAPTEPHX2NNMTL3MBTL1GRN
SCHEMBL13875908 0.83 MAPT (0.68) MAPTNNMTL3MBTL1
SCHEMBL26172916 0.82 OPRM1 (0.44) —
SCHEMBL13875906 0.82 NNMT (0.64) MAPTNNMTL3MBTL1KCNH2
SCHEMBL22968740 0.80 LTK (0.35) EPHX2NNMTGRNSORT1IDO1
SCHEMBL13875896 0.79 L3MBTL1 (0.70) MAPTEPHX2L3MBTL1SCN9A
SCHEMBL19481639 0.79 NNMT (0.44) MAPTNNMTKCNH2
SCHEMBL22837053 0.78 KCNK3 (0.35) MAPTEPHX2IDO1
SCHEMBL22837004 0.78 L3MBTL1 (0.49) MAPTL3MBTL1
SCHEMBL13875951 0.75 GAA (0.52) MAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11667667-B2 Steroid derivative FXR agonist CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2023-06-06 — — US disclosed
US-11667667-B2 Steroid derivative FXR agonist CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2023-06-06 — — US disclosed
US-20210040140-A1 Steroid Derivative FXR Agonist CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2021-02-11 — — US disclosed
US-10875888-B2 Steroid derivative FXR agonist CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2020-12-29 — — 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 (3 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-11667667-B2 Steroid derivative FXR agonist NR1H4, SLC10A1, FXR1 MAPT 236/4885EPHX2 1825/4885NNMT 2673/4885
US-20210040140-A1 Steroid Derivative FXR Agonist NR1H4, SLC10A1, FXR1 MAPT 236/4885EPHX2 1825/4885NNMT 2673/4885
US-10875888-B2 Steroid derivative FXR agonist NR1H4, SLC10A1, FXR1 MAPT 236/4885EPHX2 1825/4885NNMT 2673/4885

“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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