SCHEMBL20724820

SCHEMBL20724820

CC(=O)O[C@@H]1CC[C@]2(C)C3CC[C@@]4(C)C(CCC4[C@H](C)CC=C(c4ccccc4)c4ccccc4)C3CC[C@@H]2C1

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
VDR P11473 3/20 0.65
USP2 O75604 1/20 0.65
CDC25A P30304 2/20 0.54
ST6GAL1 P15907 1/20 0.52
ALDH1A1 P00352 1/20 0.50
TP53 P04637 1/20 0.50
MAPT P10636 1/20 0.50
MAPK1 P28482 1/20 0.50
ABCC4 O15439 1/20 0.50
POLA1 P09884 1/20 0.50

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
SCHEMBL18850564 0.86 NR1H4 (0.49) VDRUSP2CDC25A
SCHEMBL19413532 0.86 NR1H4 (0.49) VDRUSP2CDC25A
SCHEMBL6363543 0.84 VDR (0.74) VDRUSP2CDC25AST6GAL1ALDH1A1
SCHEMBL22837114 0.81 NR1H4 (0.57)
SCHEMBL21163766 0.81 NR1H4 (0.57)
SCHEMBL21163755 0.81 NR1H4 (0.57)
SCHEMBL15700227 0.81 NR1H4 (0.57)
SCHEMBL18850503 0.81 NR1H4 (0.57)
SCHEMBL18850504 0.81 NR1H4 (0.57)
SCHEMBL18848976 0.81 NR1H4 (0.57)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10202414-B2 Process for preparing bile acid derivatives INTERCEPT PHARMACEUTICALS, INC. (US) 2019-02-12 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 (1 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-10202414-B2 Process for preparing bile acid derivatives NR1H4, SLC10A1, CYP7A1 VDR 1812/4885USP2 3847/4885CDC25A 1940/4885

“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.