SCHEMBL22837005

SCHEMBL22837005

CC(C)(C)CCCOc1ncc(C(=O)C(C)(C)C)cc1F

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 8/20 0.34
SSTR4 P31391 1/20 0.33
PIK3CA P42336 6/20 0.32
HDAC1 Q13547 6/20 0.32
FFAR1 O14842 1/20 0.32
SGK1 O00141 1/20 0.32
HDAC6 Q9UBN7 1/20 0.30

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
SCHEMBL22837122 0.93 DGAT1 (0.35) DGAT1SSTR4PIK3CAHDAC1HDAC6
SCHEMBL22836999 0.84 CYP2D6 (0.37) SSTR4
SCHEMBL22837121 0.77 CYP2D6 (0.37) SSTR4
SCHEMBL22968488 0.77 THRA (0.45)
SCHEMBL22837119 0.73 MAPT (0.45)
SCHEMBL22968608 0.73 GABRP (0.36) FFAR1
SCHEMBL23834707 0.70 CHEK2 (0.43) PIK3CA
SCHEMBL24214200 0.70 L3MBTL1 (0.42) DGAT1FFAR1
SCHEMBL23834936 0.70 VNN1 (0.39)
SCHEMBL29921050 0.70 VNN1 (0.39)

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 DGAT1 961/4885SSTR4 450/4885PIK3CA 2396/4885
US-20210040140-A1 Steroid Derivative FXR Agonist NR1H4, SLC10A1, FXR1 DGAT1 961/4885SSTR4 450/4885PIK3CA 2396/4885
US-10875888-B2 Steroid derivative FXR agonist NR1H4, SLC10A1, FXR1 DGAT1 961/4885SSTR4 450/4885PIK3CA 2396/4885

“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.