SCHEMBL29386162

SCHEMBL29386162

CC(CCC(=O)OC(=O)CCC(C)[C@H]1CC[C@H]2[C@@H]3CCC4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)[C@H]1CC[C@H]2[C@@H]3CCC4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 5/20 0.86
VDR P11473 4/20 0.86
HIF1A Q16665 3/20 0.86
CYP2C9 P11712 2/20 0.86
EPHA2 P29317 6/20 0.80
CASP7 P55210 3/20 0.80
TP53 P04637 2/20 0.80
MAPK1 P28482 2/20 0.80
HSD17B10 Q99714 2/20 0.80
BLM P54132 2/20 0.80
TDP1 Q9NUW8 2/20 0.80
USP2 O75604 2/20 0.80
CYP3A4 P08684 2/20 0.80
MDM4 O15151 1/20 0.80
MAPT P10636 1/20 0.80
HSPD1 P10809 1/20 0.80
TSHR P16473 1/20 0.80
PTPN2 P17706 1/20 0.80
PTPN1 P18031 1/20 0.80
BRCA1 P38398 1/20 0.80

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
SCHEMBL17065817 0.94 GPBAR1 (0.80) GPBAR1VDRHIF1ACYP2C9EPHA2
SCHEMBL14359988 0.93 GPBAR1 (1.00) GPBAR1VDRHIF1ACYP2C9EPHA2
SCHEMBL12205283 0.93 GPBAR1 (1.00) GPBAR1VDRHIF1ACYP2C9EPHA2
SCHEMBL12917358 0.93 GPBAR1 (1.00) GPBAR1VDRHIF1ACYP2C9EPHA2
SCHEMBL23285666 0.93 GPBAR1 (1.00) GPBAR1VDRHIF1ACYP2C9EPHA2
SCHEMBL23776966 0.93 GPBAR1 (1.00) GPBAR1VDRHIF1ACYP2C9EPHA2
SCHEMBL337582 0.93 GPBAR1 (1.00) GPBAR1VDRHIF1ACYP2C9EPHA2
SCHEMBL22079995 0.93 GPBAR1 (1.00) GPBAR1VDRHIF1ACYP2C9EPHA2
SCHEMBL21283583 0.93 GPBAR1 (1.00) GPBAR1VDRHIF1ACYP2C9EPHA2
SCHEMBL14771006 0.93 GPBAR1 (1.00) GPBAR1VDRHIF1ACYP2C9EPHA2

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-11247904-B2 Scroll composite having amphiphilic substance inside and method for preparation of the same INDUSTRY-UNIVERSITY COOPERATION FOUNDATION HANYANG UNIVERSITY (KR) 2022-02-15 US claimed
US-11247904-B2 Scroll composite having amphiphilic substance inside and method for preparation of the same INDUSTRY-UNIVERSITY COOPERATION FOUNDATION HANYANG UNIVERSITY (KR) 2022-02-15 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-11247904-B2 Scroll composite having amphiphilic substance inside and method for preparation of the same PSAP, SGMS2, SDCBP GPBAR1 3346/4885VDR 2071/4885HIF1A 4268/4885

“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.