SCHEMBL16226902

SCHEMBL16226902

CC(C)C(C)CCC(C)C1CCC2C3CCC4CC(O)CCC4(C)C3C(O)CC12C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPBAR1 Q8TDU6 7/20 0.55
▸ CASP7 P55210 3/20 0.55
▸ HIF1A Q16665 3/20 0.55
▸ EPHA2 P29317 3/20 0.55
▸ TP53 P04637 2/20 0.55
▸ MAPK1 P28482 2/20 0.55
▸ HSD17B10 Q99714 2/20 0.55
▸ BLM P54132 2/20 0.55
▸ TDP1 Q9NUW8 2/20 0.55
▸ VDR P11473 2/20 0.55
▸ USP2 O75604 2/20 0.55
▸ CYP3A4 P08684 2/20 0.55
▸ LMNA P02545 2/20 0.55
▸ MDM4 O15151 1/20 0.55
▸ MAPT P10636 1/20 0.55
▸ HSPD1 P10809 1/20 0.55
▸ TSHR P16473 1/20 0.55
▸ PTPN2 P17706 1/20 0.55
▸ PTPN1 P18031 1/20 0.55
▸ BRCA1 P38398 1/20 0.55

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
SCHEMBL16226126 1.00 GPBAR1 (0.55) GPBAR1CASP7HIF1AEPHA2TP53
SCHEMBL16225880 1.00 GPBAR1 (0.55) GPBAR1CASP7HIF1AEPHA2TP53
SCHEMBL16226858 1.00 GPBAR1 (0.55) GPBAR1CASP7HIF1AEPHA2TP53
SCHEMBL6558598 0.88 OSBP (0.59) GPBAR1CASP7HIF1AEPHA2TP53
SCHEMBL16226151 0.88 OSBP (0.59) GPBAR1CASP7HIF1AEPHA2TP53
SCHEMBL22446776 0.87 OSBP (0.70) GPBAR1CASP7HIF1AEPHA2TP53
SCHEMBL24710359 0.86 GPBAR1 (0.72) GPBAR1CASP7HIF1AEPHA2TP53
SCHEMBL21524957 0.86 GPBAR1 (0.72) GPBAR1CASP7HIF1AEPHA2TP53
SCHEMBL21748184 0.86 GPBAR1 (0.72) GPBAR1CASP7HIF1AEPHA2TP53
SCHEMBL14537828 0.86 GPBAR1 (0.72) GPBAR1CASP7HIF1AEPHA2TP53

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 GPBAR1 77/4885CASP7 2290/4885HIF1A 4469/4885

“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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