SCHEMBL26425523

SCHEMBL26425523

CCC(=O)OCOC(=O)CC[C@@H](C)C1CCC2C3CC[C@@H]4C[C@H](O)CC[C@]4(C)C3C[C@H](O)[C@@]21C

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.80
▸ MEN1 O00255 2/20 0.80
▸ KMT2A Q03164 2/20 0.80
▸ USP2 O75604 2/20 0.80
▸ MAPK1 P28482 2/20 0.80
▸ LMNA P02545 1/20 0.80
▸ GPBAR1 Q8TDU6 10/20 0.75
▸ SLC10A2 Q12908 2/20 0.75
▸ TBXA2R P21731 1/20 0.75
▸ PDE3A Q14432 1/20 0.75
▸ NR1H4 Q96RI1 1/20 0.75
▸ CA1 P00915 3/20 0.68
▸ CA2 P00918 3/20 0.68
▸ ABCC4 O15439 1/20 0.63
▸ CYP2C9 P11712 1/20 0.62
▸ HIF1A Q16665 1/20 0.62
▸ VDR P11473 1/20 0.62
▸ CYP3A4 P08684 2/20 0.60
▸ SLCO1B3 Q9NPD5 1/20 0.60
▸ SLCO1B1 Q9Y6L6 1/20 0.60

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
SCHEMBL22699678 0.93 MAPT (0.83) MAPTMEN1KMT2AUSP2MAPK1
SCHEMBL4971166 0.93 MAPT (0.83) MAPTMEN1KMT2AUSP2MAPK1
SCHEMBL26425237 0.91 MAPT (0.77) MAPTMEN1KMT2AUSP2MAPK1
SCHEMBL5436906 0.91 MAPT (0.80) MAPTMEN1KMT2AUSP2MAPK1
SCHEMBL23710355 0.90 MAPT (0.81) MAPTMEN1KMT2AUSP2MAPK1
SCHEMBL5431048 0.90 MAPT (0.81) MAPTMEN1KMT2AUSP2MAPK1
SCHEMBL2260486 0.90 MAPT (0.81) MAPTMEN1KMT2AUSP2MAPK1
SCHEMBL18216458 0.90 MAPT (0.81) MAPTMEN1KMT2AUSP2MAPK1
SCHEMBL1014063 0.90 MAPT (0.81) MAPTMEN1KMT2AUSP2MAPK1
SCHEMBL12362226 0.90 MAPT (0.81) MAPTMEN1KMT2AUSP2MAPK1

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 MAPT 751/4885MEN1 3849/4885KMT2A 2142/4885

“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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