SCHEMBL5442887

SCHEMBL5442887

CCOC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPBAR1 Q8TDU6 5/20 0.81
▸ VDR P11473 4/20 0.81
▸ HIF1A Q16665 3/20 0.81
▸ CYP2C9 P11712 2/20 0.81
▸ EPHA2 P29317 4/20 0.76
▸ CASP7 P55210 3/20 0.76
▸ TP53 P04637 2/20 0.76
▸ MAPK1 P28482 2/20 0.76
▸ HSD17B10 Q99714 2/20 0.76
▸ BLM P54132 2/20 0.76
▸ TDP1 Q9NUW8 2/20 0.76
▸ USP2 O75604 2/20 0.76
▸ CYP3A4 P08684 2/20 0.76
▸ MDM4 O15151 1/20 0.76
▸ MAPT P10636 1/20 0.76
▸ HSPD1 P10809 1/20 0.76
▸ TSHR P16473 1/20 0.76
▸ PTPN2 P17706 1/20 0.76
▸ PTPN1 P18031 1/20 0.76
▸ BRCA1 P38398 1/20 0.76

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
SCHEMBL13648593 1.00 GPBAR1 (0.81) GPBAR1VDRHIF1ACYP2C9EPHA2
SCHEMBL19565489 1.00 GPBAR1 (0.81) GPBAR1VDRHIF1ACYP2C9EPHA2
SCHEMBL5442890 1.00 GPBAR1 (0.81) GPBAR1VDRHIF1ACYP2C9EPHA2
SCHEMBL5446368 0.96 GPBAR1 (0.76) GPBAR1VDRHIF1ACYP2C9EPHA2
SCHEMBL5446372 0.96 GPBAR1 (0.76) GPBAR1VDRHIF1ACYP2C9EPHA2
SCHEMBL5434273 0.92 GPBAR1 (0.79) GPBAR1VDRHIF1ACYP2C9EPHA2
SCHEMBL5434267 0.92 GPBAR1 (0.79) GPBAR1VDRHIF1ACYP2C9EPHA2
SCHEMBL139260 0.92 GPBAR1 (0.75) GPBAR1VDRHIF1ACYP2C9EPHA2
SCHEMBL139261 0.92 GPBAR1 (0.75) GPBAR1VDRHIF1ACYP2C9EPHA2
SCHEMBL5434017 0.91 GPBAR1 (0.80) 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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115819491-A Synthesis method of 7-ketolithocholic acid and ursodeoxycholic acid 江苏佳尔科药业集团股份有限公司 2023-03-21 — — CN disclosed
CN-102725633-B The mensuration damaged for diagnosing cardiac muscle cell ABBOTT LABORATORIES (US) 2016-02-03 — — CN disclosed
CN-102725633-A Assay for diagnosis of cardiac myocyte damage ABBOTT LAB 2012-10-10 — — CN disclosed
US-20070254247-A1 Radiation-sensitive resin composition YAMAMOTO MASAFUMI 2007-11-01 — — US disclosed
US-20070179100-A1 Protected monomers ALNYLAM PHARMACEUTICALS, INC. 2007-08-02 — — US disclosed
CN-1266192-C Diamine compound, polyamic acid, imidized polymer, liquid crystal aligning agent and liquid crystal display element JSR CO LTD (JP) 2006-07-26 — — CN disclosed
US-7005230-B2 Radiation-sensitive resin composition JSR CORPORATION (JP) 2006-02-28 — — US disclosed
EP-1625138-A2 PROTECTED MONOMERS Alnylam Pharmaceuticals Inc. (US) 2006-02-15 — — EP disclosed
CN-1564840-A Diamine compound, polyamic acid, imide polymer, liquid crystal alignment agent and liquid crystal display JSR CO LTD (JP) 2005-01-12 — — CN disclosed
WO-2004094345-A2 PROTECTED MONOMERS ALNYLAM PHARMACEUTICALS INC. (US) 2004-11-04 — — WO disclosed
US-6800419-B2 FOR USE AS CHEMICALLY-AMPLIFIED RESIST FOR MICROFABRICATION UTILIZING DEEP ULTRAVIOLET RAYS AND EXHIBITS EXCELLENT FILM THICKNESS UNIFORMITY AND STORAGE STABILITY JSR CORPORATION (JP) 2004-10-05 — — US disclosed
US-20040146802-A1 Radiation-sensitive resin composition JSR CORPORATION (JP) 2004-07-29 — — US disclosed
US-20030203307-A1 Radiation-sensitive resin composition JSR CORPORATION (JP) 2003-10-30 — — 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-20070179100-A1 Protected monomers PCNA, POLN, PARP1 GPBAR1 4124/4885VDR 4209/4885HIF1A 602/4885

“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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