SCHEMBL16227098

SCHEMBL16227098

C[C@H](C(O)CO)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C

nearest known ligand 0.77

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NR1H4 Q96RI1 8/20 0.77
▸ GPBAR1 Q8TDU6 11/20 0.70
▸ NR3C1 P04150 1/20 0.65
▸ MEN1 O00255 2/20 0.62
▸ KMT2A Q03164 2/20 0.62
▸ ABCB11 O95342 2/20 0.62
▸ SLC10A2 Q12908 2/20 0.62
▸ LMNA P02545 1/20 0.62
▸ CYP2C19 P33261 1/20 0.62
▸ CHRM2 P08172 1/20 0.62
▸ ADRA2A P08913 1/20 0.62
▸ ADRA1A P35348 1/20 0.62
▸ TDP1 Q9NUW8 1/20 0.62
▸ ENPP2 Q13822 1/20 0.62
▸ SLC10A1 Q14973 1/20 0.62
▸ CISD1 Q9NZ45 1/20 0.62

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
SCHEMBL16226607 1.00 NR1H4 (0.77) NR1H4GPBAR1NR3C1MEN1KMT2A
SCHEMBL24198613 0.87 GPBAR1 (0.82) NR1H4GPBAR1MEN1KMT2AABCB11
SCHEMBL30555841 0.87 NR1H4 (1.00) NR1H4GPBAR1NR3C1MEN1KMT2A
SCHEMBL30555795 0.87 NR1H4 (1.00) NR1H4GPBAR1NR3C1MEN1KMT2A
SCHEMBL16227102 0.87 GPBAR1 (0.70) NR1H4GPBAR1MEN1KMT2ALMNA
SCHEMBL13368620 0.86 GPBAR1 (0.69) NR1H4GPBAR1NR3C1MEN1KMT2A
SCHEMBL16226108 0.84 GPBAR1 (0.74) NR1H4GPBAR1MEN1KMT2AABCB11
SCHEMBL21026574 0.84 NR3C1 (0.75) NR1H4GPBAR1NR3C1MEN1KMT2A
SCHEMBL13240246 0.84 NR3C1 (0.75) NR1H4GPBAR1NR3C1MEN1KMT2A
SCHEMBL15479183 0.84 NR3C1 (0.75) NR1H4GPBAR1NR3C1MEN1KMT2A

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-20140335050-A1 METHODS, COMPOSITIONS, AND KITS FOR THE TREATMENT OF CANCER THE GENERAL HOSPITAL CORPORATION (US) 2014-11-13 — — 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-20140335050-A1 METHODS, COMPOSITIONS, AND KITS FOR THE TREATMENT OF CANCER IL2RA, CD74, IL2 NR1H4 131/4885GPBAR1 77/4885NR3C1 1776/4885

“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.

Send feedback