Sugi Predict

Sugi Predict / Compounds / SCHEMBL3060433

SCHEMBL3060433

SCHEMBL3060433

CC(C)(C)OC(=O)c1[c]cccc1C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRA1A P35348 1/20 0.36
▸ ADRA1B P35368 1/20 0.36
▸ CA12 O43570 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ CA14 Q9ULX7 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ AR P10275 1/20 0.33
▸ EGFR P00533 1/20 0.33
▸ GPR119 Q8TDV5 1/20 0.33
▸ GRM6 O15303 1/20 0.33
▸ TSHR P16473 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ HSD17B10 Q99714 1/20 0.33

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
SCHEMBL5848687 0.83 CA12 (0.36) CA12CA1CA2CA9CA14
SCHEMBL28249598 0.81 GRM6 (0.38) CA12CA1CA2CA9CA14
SCHEMBL28230867 0.81 GRM6 (0.38) ADRA1AADRA1BCA12CA1CA2
SCHEMBL109178 0.77 TSHR (0.50) ADRA1AADRA1BCA1CA2CA9
SCHEMBL30111657 0.77 TSHR (0.50) ADRA1AADRA1BCA1CA2CA9
SCHEMBL670604 0.77 LMNA (0.50) CA1CA2CA9POLBKMT2A
Hydrogen Peroxide SCHEMBL29048859 0.75 TSHR (0.48) ADRA1AADRA1BMEN1NPC1HTT
SCHEMBL6948735 0.72 NPC1 (0.46) ADRA1AADRA1BCA12CA1CA2
SCHEMBL1452206 0.72 TSHR (0.61) CA12CA1CA2CA9CA14
SCHEMBL6577373 0.72 GRM6 (0.43) ADRA1AADRA1BCA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2239057-B1 Asymmetric catalyst and process for preparing optically active alcohols using the same KANTO KAGAKU (JP) 2015-06-03 — — EP disclosed
US-8232420-B2 Asymmetric catalyst and process for preparing optically active alcohols using the same KANTO KAGAKU KABUSHIKI KAISHA (JP) 2012-07-31 — — US disclosed
US-20100261924-A1 ASYMMETRIC CATALYST AND PROCESS FOR PREPARING OPTICALLY ACTIVE ALCOHOLS USING THE SAME KANTO KAGAKU KABUSHIKI KAISHA (JP) 2010-10-14 — — US disclosed
EP-2239057-A1 Asymmetric catalyst and process for preparing optically active alcohols using the same Kanto Kagaku Kabushiki Kaisha (JP) 2010-10-13 — — EP disclosed
EP-0936218-B1 BENZIMIDAZOLE DERIVATIVES MOCHIDA PHARM CO LTD (JP) 2003-04-02 — — EP disclosed
US-6387938-B1 Benzimidazole derivatives MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2002-05-14 — — US disclosed
EP-0936218-A1 NOVEL BENZIMIDAZOLE DERIVATIVES MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1999-08-18 — — EP 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-20100261924-A1 ASYMMETRIC CATALYST AND PROCESS FOR PREPARING OPTICALLY ACTIVE ALCOHOLS USING THE SAME ADH1A, ADH1C, ADH5 ADRA1A 41/4885ADRA1B 43/4885CA12 3021/4885

“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.