Sugi Predict

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SCHEMBL2824960

SCHEMBL2824960

Cc1nc2cc([C@H](CCI)O[SiH2]C(C)(C)C(C)C)ccc2o1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ GAA P10253 1/20 0.36
▸ OGA O60502 1/20 0.36
▸ TAS1R3 Q7RTX0 3/20 0.35
▸ TAS1R1 Q7RTX1 3/20 0.35
▸ ACACB O00763 1/20 0.34
▸ RAB9A P51151 5/20 0.33
▸ NPC1 O15118 3/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ LMNA P02545 1/20 0.32
▸ STAT1 P42224 1/20 0.32
▸ MAOA P21397 1/20 0.31
▸ ADRA1A P35348 1/20 0.31

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
SCHEMBL2820766 0.90 TAS1R3 (0.36) L3MBTL1GAAOGATAS1R3TAS1R1
SCHEMBL2818375 0.82 TAS1R3 (0.39) L3MBTL1OGATAS1R3TAS1R1ACACB
SCHEMBL2821994 0.80 L3MBTL1 (0.38) L3MBTL1GAAOGATAS1R3TAS1R1
SCHEMBL30644669 0.70 L3MBTL1 (0.50) L3MBTL1GAAOGATAS1R3TAS1R1
SCHEMBL20482201 0.70 L3MBTL1 (0.50) L3MBTL1GAAOGATAS1R3TAS1R1
SCHEMBL2819074 0.70 GAA (0.37) L3MBTL1GAAOGATAS1R3TAS1R1
SCHEMBL10315087 0.70 MAPT (0.58) L3MBTL1GAAOGATAS1R3TAS1R1
SCHEMBL10315088 0.68 GAA (0.47) L3MBTL1GAAOGATAS1R3TAS1R1
SCHEMBL18024194 0.68 GAA (0.47) L3MBTL1GAAOGATAS1R3TAS1R1
SCHEMBL19068834 0.67 L3MBTL1 (0.50) L3MBTL1GAAOGATAS1R3TAS1R1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7700621-B2 E.g., 4-(2-methyl-3-oxo-hept-6-en-2-yl)-2,2-dimethyl-[1,3]-dioxane chemical intermediate; chemical/metabolic stabilization of microtubuli; antitumor, -carcinogenic agents; malignant melanoma, acute lymphocytic/myelocytic leukemia; angiogenesis inhibitors; antiinflammatory/-arthritic agents; psoriasis BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-04-20 — — US disclosed
US-20060046997-A1 6-Alkenyl -, 6-alkinyl- and 6-epoxy-epothilone derivatives, process for their production, and their use in pharmaceutical preparations BAYER INTELLECTUAL PROPERTY GMBH (DE) 2006-03-02 — — US disclosed
EP-1173441-A1 6-ALKENYL-, 6-ALKINYL- AND 6-EPOXY-EPOTHILONE DERIVATIVES, PROCESS FOR THEIR PRODUCTION, AND THEIR USE IN PHARMACEUTICAL PREPARATIONS SCHERING AKTIENGESELLSCHAFT (DE) 2002-01-23 — — EP disclosed
WO-2000066589-A1 6-ALKENYL-, 6-ALKINYL- AND 6-EPOXY-EPOTHILONE DERIVATIVES, PROCESS FOR THEIR PRODUCTION, AND THEIR USE IN PHARMACEUTICAL PREPARATIONS SCHERING AKTIENGESELLSCHAFT (DE) 2000-11-09 — — WO 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-20060046997-A1 6-Alkenyl -, 6-alkinyl- and 6-epoxy-epothilone derivatives, process for their production, and their use in pharmaceutical preparations TUBB6, CCNB1, TUBB L3MBTL1 304/4885GAA 2491/4885OGA 1117/4885

“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.