SCHEMBL2912460

SCHEMBL2912460

COc1cc(OC)cc(O[Si](C)(C)C(C)(C)C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
CA1 P00915 5/20 0.42
CA12 O43570 4/20 0.42
CA9 Q16790 4/20 0.42
CYP1A1 P04798 6/20 0.39
CYP1B1 Q16678 6/20 0.39
PREP P48147 3/20 0.39
CA2 P00918 1/20 0.39
CYP1A2 P05177 3/20 0.35
CYP3A4 P08684 3/20 0.35
CYP2E1 P05181 2/20 0.35
CYP2C8 P10632 2/20 0.35
CYP2D6 P10635 2/20 0.35
CYP2A6 P11509 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP4B1 P13584 2/20 0.35
CYP2B6 P20813 2/20 0.35
CYP3A5 P20815 2/20 0.35
CYP2A7 P20853 2/20 0.35
CYP3A7 P24462 2/20 0.35

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
SCHEMBL17318153 0.91 CA12 (0.47) ALDH1A1CA1CA12CA9PREP
SCHEMBL14812000 0.90 ALDH1A1 (0.41) ALDH1A1CA1CA12CA9CYP1A1
SCHEMBL3544897 0.86 CYP1A1 (0.42) ALDH1A1CA1CA12CA9CYP1A1
SCHEMBL25665190 0.84 RXRA (0.46) CA1CA12CA9CA2
SCHEMBL5292779 0.84 ACHE (0.45) ALDH1A1CA1CA12CA9CA2
SCHEMBL28615509 0.82 CA12 (0.37) ALDH1A1CA1CA12CA9PREP
SCHEMBL23723314 0.82 CA12 (0.42) CA1CA12CA9PREP
SCHEMBL1594100 0.82 CA1 (0.42) CA1CA12CA9PREPCA2
SCHEMBL26763405 0.82 CA12 (0.42) ALDH1A1CA1CA12CA9PREP
SCHEMBL3057447 0.82 CA1 (0.50) ALDH1A1CA1CA12CA9PREP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200140413-A1 WATER-SOLUBLE TRIMETHOXYPHENYLPYRIDINE-TYPE COMPLEXING AGENTS, AND CORRESPONDING LANTHANIDE COMPLEXES CISBIO BIOASSAYS (FR) 2020-05-07 US disclosed
US-10597409-B2 Water-soluble triazapyridinophane-based complexing agents and corresponding fluorescent lanthanide complexes CISBIO BIOASSAYS (FR) 2020-03-24 US disclosed
US-8431603-B2 3-phenylpyrazolo[5,1-b]thiazole compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-04-30 US disclosed
US-8431603-B2 3-phenylpyrazolo[5,1-b]thiazole compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-04-30 US disclosed
US-8431603-B2 3-phenylpyrazolo[5,1-b]thiazole compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-04-30 US disclosed
EP-2266990-B1 3-PHENYLPYRAZOLO[5,1-b]THIAZOLE COMPOUND EISAI R&D MAN CO LTD (JP) 2012-09-26 EP disclosed
EP-2266990-A1 3-PHENYLPYRAZOLOÝ5,1-b¨THIAZOLE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2010-12-29 EP disclosed
US-20100267775-A1 OXADIAZOLIDINEDIONE COMPOUND ASTELLAS PHARMA INC. (JP) 2010-10-21 US disclosed
EP-2216330-A1 OXADIAZOLIDINEDIONE COMPOUND Astellas Pharma Inc. (JP) 2010-08-11 EP disclosed
US-20090259049-A1 3-PHENYLPYRAZOLO[5,1-b]THIAZOLE COMPOUNDS EISAI R & D MANAGEMENT CO., LTD. (JP) 2009-10-15 US disclosed
US-20090259049-A1 3-PHENYLPYRAZOLO[5,1-b]THIAZOLE COMPOUNDS EISAI R & D MANAGEMENT CO., LTD. (JP) 2009-10-15 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 (4 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-20200140413-A1 WATER-SOLUBLE TRIMETHOXYPHENYLPYRIDINE-TYPE COMPLEXING AGENTS, AND CORRESPONDING LANTHANIDE COMPLEXES RCC1, LASP1, POT1 ALDH1A1 2585/4885CA1 315/4885CA12 841/4885
US-10597409-B2 Water-soluble triazapyridinophane-based complexing agents and corresponding fluorescent lanthanide complexes GSTA1, CLIC1, SLC40A1 ALDH1A1 390/4885CA1 856/4885CA12 1289/4885
US-20090259049-A1 3-PHENYLPYRAZOLO[5,1-b]THIAZOLE COMPOUNDS CRHR1, AGTR1, CRHR2 ALDH1A1 1071/4885CA1 1949/4885CA12 2668/4885
US-20100267775-A1 OXADIAZOLIDINEDIONE COMPOUND GPR119, GLP1R, GPR4 ALDH1A1 2370/4885CA1 4452/4885CA12 4685/4885

“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.