SCHEMBL21283583

SCHEMBL21283583

COC(=O)CC[C@@H](C)C1CCC2C3CCC4C[C@H](O)CC[C@]4(C)C3CC[C@@]21C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 5/20 1.00
HIF1A Q16665 3/20 1.00
VDR P11473 3/20 1.00
CYP2C9 P11712 2/20 1.00
EPHA2 P29317 5/20 0.79
CASP7 P55210 3/20 0.79
MAPK1 P28482 3/20 0.79
MAPT P10636 3/20 0.79
USP2 O75604 3/20 0.79
TP53 P04637 2/20 0.79
HSD17B10 Q99714 2/20 0.79
BLM P54132 2/20 0.79
TDP1 Q9NUW8 2/20 0.79
LMNA P02545 2/20 0.79
CYP3A4 P08684 2/20 0.79
MDM4 O15151 1/20 0.79
HSPD1 P10809 1/20 0.79
TSHR P16473 1/20 0.79
PTPN2 P17706 1/20 0.79
PTPN1 P18031 1/20 0.79

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
SCHEMBL14269208 1.00 GPBAR1 (1.00) GPBAR1HIF1AVDRCYP2C9EPHA2
SCHEMBL14771006 1.00 GPBAR1 (1.00) GPBAR1HIF1AVDRCYP2C9EPHA2
SCHEMBL12205283 1.00 GPBAR1 (1.00) GPBAR1HIF1AVDRCYP2C9EPHA2
SCHEMBL12917358 1.00 GPBAR1 (1.00) GPBAR1HIF1AVDRCYP2C9EPHA2
SCHEMBL23776966 1.00 GPBAR1 (1.00) GPBAR1HIF1AVDRCYP2C9EPHA2
SCHEMBL23285666 1.00 GPBAR1 (1.00) GPBAR1HIF1AVDRCYP2C9EPHA2
SCHEMBL14359988 1.00 GPBAR1 (1.00) GPBAR1HIF1AVDRCYP2C9EPHA2
SCHEMBL337582 1.00 GPBAR1 (1.00) GPBAR1HIF1AVDRCYP2C9EPHA2
SCHEMBL22079995 1.00 GPBAR1 (1.00) GPBAR1HIF1AVDRCYP2C9EPHA2
SCHEMBL12704721 1.00 GPBAR1 (1.00) GPBAR1HIF1AVDRCYP2C9EPHA2

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-20190255073-A1 ESTERS OF 3-POLYAMINE DERIVATIVES OF BILE ACIDS FOR THE TREATMENT OF INFECTIONS VIRBAC (FR) 2019-08-22 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-20190255073-A1 ESTERS OF 3-POLYAMINE DERIVATIVES OF BILE ACIDS FOR THE TREATMENT OF INFECTIONS GPBAR1, NR1H4, ESRRA GPBAR1 1/4885HIF1A 2769/4885VDR 224/4885

“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.