SCHEMBL22968752

SCHEMBL22968752

CC(C)(C)CCc1cc(C(=O)C(C)(C)C)ccc1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 5/20 0.39
SLC6A4 P31645 5/20 0.39
SLC6A3 Q01959 5/20 0.39
CYP2D6 P10635 3/20 0.39
BCL2 P10415 2/20 0.36
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
KCNH2 Q12809 1/20 0.35
CACNA1I Q9P0X4 1/20 0.35
KCNJ6 P48051 1/20 0.35
KCNJ5 P48544 1/20 0.35
KCNJ3 P48549 1/20 0.35
MLYCD O95822 1/20 0.34
TSHR P16473 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33

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
SCHEMBL22836993 0.86 PKM (0.44) SLC6A2SLC6A4SLC6A3CYP2D6BCL2
SCHEMBL22836994 0.81 MLYCD (0.37) SLC6A2SLC6A3PPARGPPARAMLYCD
SCHEMBL3089625 0.80 ALDH1A1 (0.50) ALDH1A1L3MBTL1KMT2A
SCHEMBL10877218 0.76 TSHR (0.57) TSHRHDAC3HDAC4HDAC1HDAC7
SCHEMBL22837009 0.75 HDAC8 (0.39) SLC6A2SLC6A4SLC6A3CYP2D6HDAC8
SCHEMBL12562215 0.74 TP53 (0.39) SLC6A2SLC6A4SLC6A3KCNH2TSHR
SCHEMBL17831661 0.73 CYP2D6 (0.42) SLC6A2SLC6A4SLC6A3CYP2D6EPHX2
SCHEMBL11810540 0.73 NR1H4 (0.45) TSHREPHX2NR1H4
SCHEMBL30665778 0.73 CYP2D6 (0.42) SLC6A2SLC6A4SLC6A3CYP2D6EPHX2
SCHEMBL13543240 0.73 TSHR (0.43) TSHRALDH1A1GAAMAPTL3MBTL1

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 SLC6A2 504/4885SLC6A4 581/4885SLC6A3 1367/4885
US-20210040140-A1 Steroid Derivative FXR Agonist NR1H4, SLC10A1, FXR1 SLC6A2 504/4885SLC6A4 581/4885SLC6A3 1367/4885

“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.