SCHEMBL22837053

SCHEMBL22837053

CC(C)(C)CCOc1cc(C(=O)C(C)(C)C)ccn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNK3 O14649 1/20 0.35
▸ KCNK9 Q9NPC2 1/20 0.35
▸ LTK P29376 1/20 0.35
▸ CDK8 P49336 1/20 0.35
▸ MAP2K1 Q02750 1/20 0.35
▸ ROCK1 Q13464 1/20 0.35
▸ NTRK3 Q16288 1/20 0.35
▸ NTRK2 Q16620 1/20 0.35
▸ EPHX2 P34913 1/20 0.35
▸ CYP2D6 P10635 1/20 0.34
▸ NR2E1 Q9Y466 1/20 0.33
▸ CTSA P10619 1/20 0.33
▸ PROKR1 Q8TCW9 2/20 0.32
▸ SLC13A5 Q86YT5 1/20 0.32
▸ IDO1 P14902 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ KDM1A O60341 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ GSK3B P49841 1/20 0.32
▸ CCR9 P51686 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
SCHEMBL13875976 0.83 PROKR1 (0.44) PROKR1MAPTACACB
SCHEMBL13875972 0.83 KCNK3 (0.48) KCNK3KCNK9NR2E1CTSAPROKR1
SCHEMBL13875980 0.79 EPHX2 (0.50) EPHX2NR2E1MAPTGSK3B
SCHEMBL22837124 0.78 MAPT (0.46) EPHX2IDO1MAPT
SCHEMBL13876023 0.77 MAOB (0.46) MAPTACACB
SCHEMBL22837057 0.77 LNPEP (0.37) LTKCDK8MAP2K1ROCK1NTRK3
SCHEMBL13875983 0.76 SMN1; SMN2 (0.48) EPHX2TSHRKDM1AMAPTGSK3B
SCHEMBL22837003 0.76 KMT2A (0.53) MAPT
SCHEMBL13876008 0.73 LOXL2 (0.41) —
SCHEMBL13876011 0.73 KDM4E (0.42) KCNK3KCNK9TSHR

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 KCNK3 3740/4885KCNK9 3574/4885LTK 1091/4885
US-20210040140-A1 Steroid Derivative FXR Agonist NR1H4, SLC10A1, FXR1 KCNK3 3740/4885KCNK9 3574/4885LTK 1091/4885
US-10875888-B2 Steroid derivative FXR agonist NR1H4, SLC10A1, FXR1 KCNK3 3740/4885KCNK9 3574/4885LTK 1091/4885

“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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