SCHEMBL22388960

SCHEMBL22388960

C[C@H](CCC(=O)C(C)(C)C)[C@H]1CC[C@@H]2[C@]1(C)[C@@H](O)C[C@@H]1[C@@]3(C)CC[C@@H](O)C[C@H]3C[C@@H](O)[C@@]21C

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GPBAR1 Q8TDU6 10/20 0.52
▸ CYP3A4 P08684 3/20 0.52
▸ NR1H4 Q96RI1 3/20 0.52
▸ PDE3A Q14432 2/20 0.52
▸ USP2 O75604 3/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ TBXA2R P21731 1/20 0.50
▸ SLC10A2 Q12908 1/20 0.50
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ SLCO1B3 Q9NPD5 1/20 0.49
▸ SLCO1B1 Q9Y6L6 1/20 0.49
▸ LMNA P02545 2/20 0.48
▸ MAPT P10636 2/20 0.48
▸ MAPK1 P28482 1/20 0.48

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
Cholate SCHEMBL18485247 0.89 GPBAR1 (0.64) GPBAR1CYP3A4NR1H4PDE3ATDP1
Cholate SCHEMBL18472024 0.89 GPBAR1 (0.64) GPBAR1CYP3A4NR1H4PDE3ATDP1
Cholate SCHEMBL19268301 0.89 GPBAR1 (0.64) GPBAR1CYP3A4NR1H4PDE3ATDP1
Cholate SCHEMBL19273280 0.89 GPBAR1 (0.64) GPBAR1CYP3A4NR1H4PDE3ATDP1
Cholate SCHEMBL12568048 0.89 GPBAR1 (0.64) GPBAR1CYP3A4NR1H4PDE3ATDP1
Cholate SCHEMBL29568257 0.87 ALDH1A1 (0.66) GPBAR1CYP3A4NR1H4PDE3AUSP2
SCHEMBL21533367 0.80 GPBAR1 (0.81) GPBAR1CYP3A4NR1H4PDE3AUSP2
SCHEMBL20409459 0.80 GPBAR1 (0.81) GPBAR1CYP3A4NR1H4PDE3AUSP2
SCHEMBL409697 0.80 GPBAR1 (0.81) GPBAR1CYP3A4NR1H4PDE3AUSP2
SCHEMBL12251424 0.80 GPBAR1 (0.81) GPBAR1CYP3A4NR1H4PDE3AUSP2

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-20200277598-A1 Peptide Oligonucleotide Conjugates JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2020-09-03 — — 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-20200277598-A1 Peptide Oligonucleotide Conjugates SNRPE, SMN1; SMN2, UPF1 GPBAR1 1805/4885CYP3A4 4811/4885NR1H4 781/4885

“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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