SCHEMBL26425795

SCHEMBL26425795

CC(CCC(=O)OCOC(=O)CC[C@@H](C)C1CCC2C3CC[C@@H]4CCCC[C@]4(C)C3CC[C@@]21C)C(=O)O

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPBAR1 Q8TDU6 9/20 0.73
▸ EPHA2 P29317 3/20 0.73
▸ HSD17B10 Q99714 3/20 0.73
▸ TDP1 Q9NUW8 3/20 0.73
▸ AKR1B10 O60218 2/20 0.73
▸ AKR1B1 P15121 2/20 0.73
▸ LMNA P02545 2/20 0.73
▸ EFNA1 P20827 1/20 0.73
▸ PSEN1 P49768 1/20 0.73
▸ PSEN2 P49810 1/20 0.73
▸ APH1B Q8WW43 1/20 0.73
▸ NCSTN Q92542 1/20 0.73
▸ APH1A Q96BI3 1/20 0.73
▸ PSENEN Q9NZ42 1/20 0.73
▸ MEN1 O00255 1/20 0.73
▸ KMT2A Q03164 1/20 0.73
▸ VDR P11473 3/20 0.58
▸ HIF1A Q16665 2/20 0.58
▸ CYP2C9 P11712 1/20 0.58
▸ CASP7 P55210 3/20 0.56

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
SCHEMBL23710441 0.90 GPBAR1 (0.73) GPBAR1EPHA2HSD17B10TDP1AKR1B10
SCHEMBL28106903 0.88 GPBAR1 (0.76) GPBAR1EPHA2HSD17B10TDP1AKR1B10
SCHEMBL10569878 0.88 GPBAR1 (0.76) GPBAR1EPHA2HSD17B10TDP1AKR1B10
SCHEMBL26425206 0.88 GPBAR1 (0.76) GPBAR1EPHA2HSD17B10TDP1AKR1B10
SCHEMBL23710457 0.88 GPBAR1 (0.66) GPBAR1EPHA2HSD17B10TDP1AKR1B10
SCHEMBL28124403 0.87 GPBAR1 (0.73) GPBAR1EPHA2HSD17B10TDP1AKR1B10
SCHEMBL19086187 0.87 GPBAR1 (0.73) GPBAR1EPHA2HSD17B10TDP1AKR1B10
SCHEMBL26425744 0.86 GPBAR1 (0.62) GPBAR1EPHA2HSD17B10TDP1AKR1B10
SCHEMBL26425829 0.86 GPBAR1 (0.75) GPBAR1TDP1LMNAMEN1KMT2A
SCHEMBL19313991 0.86 GPBAR1 (0.78) GPBAR1EPHA2HSD17B10TDP1AKR1B10

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-20230128984-A1 BILE ACID-GCPII INHIBITOR CONJUGATES TO TREAT INFLAMMATORY DISEASES, INCLUDING INFLAMMATORY BOWEL DISEASE (IBD) INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY AS CR V.V.I. (CZ) 2023-04-27 — — 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-20230128984-A1 BILE ACID-GCPII INHIBITOR CONJUGATES TO TREAT INFLAMMATORY DISEASES, INCLUDING INFLAMMATORY BOWEL DISEASE (IBD) SLC10A2, GPBAR1, NR1H4 GPBAR1 2/4885EPHA2 1426/4885HSD17B10 376/4885

“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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