SCHEMBL3787754

SCHEMBL3787754

CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@H]4[C@H]5[C@H](C(C)C)CC[C@]5(C(=O)F)CC[C@@]4(C)[C@]3(C)CC[C@H]2C1(C)C

nearest known ligand 0.73

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 13/20 0.71
NR1H4 Q96RI1 1/20 0.64

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
SCHEMBL3781851 0.92 GPBAR1 (0.84) GPBAR1
SCHEMBL18799024 0.92 GPBAR1 (0.84) GPBAR1
SCHEMBL17128778 0.91 GPBAR1 (0.72) GPBAR1
SCHEMBL15362556 0.91 GPBAR1 (0.71) GPBAR1NR1H4
SCHEMBL3788023 0.91 GPBAR1 (0.72) GPBAR1
SCHEMBL12447377 0.89 GPBAR1 (0.69) GPBAR1NR1H4
SCHEMBL22251562 0.86 NR1H4 (0.86) GPBAR1NR1H4
SCHEMBL3782934 0.85 NT5E (0.69)
SCHEMBL23284092 0.84 GPBAR1 (0.73) GPBAR1
SCHEMBL23284091 0.84 GPBAR1 (0.73) GPBAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7858606-B2 Triterpenoid derivatives UNIVERZITA PALACKEHO V OLOMOUCI (CZ) 2010-12-28 US disclosed
US-20040087560-A1 Leukemia; anticancer agents; antiproliferative agents UNIVERZITA PALACKEHO V OLOMOUCI (CZ) 2004-05-06 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-20040087560-A1 Leukemia; anticancer agents; antiproliferative agents MCL1, MKI67, CCNA1 GPBAR1 2894/4885NR1H4 3029/4885

“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.