SCHEMBL22968488

SCHEMBL22968488

CC(C)(C)CCCOc1ccc(C(=O)C(C)(C)C)cc1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 2/20 0.45
THRB P10828 2/20 0.45
RAB9A P51151 2/20 0.41
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.39
TTR P02766 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C8 P10632 1/20 0.37
CHRM1 P11229 1/20 0.37
CYP2C9 P11712 1/20 0.37
TSHR P16473 1/20 0.37
ADRA1A P35348 1/20 0.37
PPARG P37231 1/20 0.37
HTR2B P41595 1/20 0.37
PPARA Q07869 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
SLCO1B3 Q9NPD5 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL22837047 0.93 THRA (0.43) THRATHRBRAB9ALMNAMAPK1
SCHEMBL22386752 0.84 HTT (0.48) THRATHRBRAB9ALMNAMAPK1
SCHEMBL22837049 0.83 CYP2C19 (0.49) THRATHRBRAB9ALMNAKMT2A
SCHEMBL22837015 0.82 TTR (0.42) RAB9AKMT2ATTR
SCHEMBL15292540 0.78 TTR (0.45) THRATHRBRAB9ALMNAMAPK1
SCHEMBL13543199 0.77 HTT (0.67) RAB9ALMNAMAPK1HTTKMT2A
SCHEMBL22386722 0.77 LTA4H (0.51) KMT2ACYP1A2SMN1; SMN2
SCHEMBL22837005 0.77 DGAT1 (0.34)
SCHEMBL22968608 0.77 GABRP (0.36) THRATHRBTTRCYP1A2CYP2C8
SCHEMBL22386754 0.77 PDE4B (0.46)

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 3 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

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-11667667-B2 Steroid derivative FXR agonist NR1H4, SLC10A1, FXR1 THRA 155/4885THRB 109/4885RAB9A 2902/4885
US-20210040140-A1 Steroid Derivative FXR Agonist NR1H4, SLC10A1, FXR1 THRA 155/4885THRB 109/4885RAB9A 2902/4885

“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.