SCHEMBL717551

SCHEMBL717551

CC(C)(C)[Si](C)(C)Oc1cc(C=O)cc(O[Si](C)(C)C(C)(C)C)c1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.41
CA1 P00915 4/20 0.41
CA9 Q16790 4/20 0.41
HSP90AA1 P07900 1/20 0.37
HSP90AB1 P08238 1/20 0.37
PREP P48147 4/20 0.36
ALDH1A1 P00352 1/20 0.32
CYP2A6 P11509 1/20 0.32
CYP1A1 P04798 1/20 0.30
CYP1B1 Q16678 1/20 0.30
SRC P12931 1/20 0.30

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
SCHEMBL3544897 0.93 CYP1A1 (0.42) CA12CA1CA9HSP90AA1HSP90AB1
SCHEMBL3542553 0.91 CA12 (0.39) CA12CA1CA9HSP90AA1HSP90AB1
SCHEMBL1417191 0.90 CA12 (0.38) CA12CA1CA9HSP90AA1HSP90AB1
SCHEMBL29520875 0.90 CA12 (0.38) CA12CA1CA9HSP90AA1HSP90AB1
SCHEMBL1616252 0.90 CA12 (0.38) CA12CA1CA9HSP90AA1HSP90AB1
SCHEMBL1952968 0.88 CA12 (0.37) CA12CA1CA9HSP90AA1HSP90AB1
SCHEMBL14534360 0.85 AHR (0.40) CA12CA1CA9PREPALDH1A1
SCHEMBL7193989 0.84 CYP1A1 (0.46) CA12CA1CA9HSP90AA1HSP90AB1
SCHEMBL17318153 0.83 CA12 (0.47) CA12CA1CA9HSP90AA1HSP90AB1
SCHEMBL1010834 0.82 HSP90AA1 (0.50) CA12CA1CA9HSP90AA1HSP90AB1

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 54 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7705188-B2 Structural modification of resveratrol: sodium resverastatin phosphate Arizona Board of Regents, a body corporate of the State of Arizona, Acting for and on Behalf of the Arizona State University (US) 2010-04-27 US claimed
US-20200188878-A1 MOLECULARLY IMPRINTED POLYMERS MONASH UNIVERSITY (AU) 2020-06-18 US disclosed
US-20200188878-A1 MOLECULARLY IMPRINTED POLYMERS MONASH UNIVERSITY (AU) 2020-06-18 US disclosed
US-9738733-B2 Polymers incorporating hydroxyl group-containing methylstyrene BRIDGESTONE CORPORATION (JP) 2017-08-22 US disclosed
US-9738733-B2 Polymers incorporating hydroxyl group-containing methylstyrene BRIDGESTONE CORPORATION (JP) 2017-08-22 US disclosed
US-9738733-B2 Polymers incorporating hydroxyl group-containing methylstyrene BRIDGESTONE CORPORATION (JP) 2017-08-22 US disclosed
US-20170002105-A1 POLYMERS INCORPORATING HYDROXYL GROUP-CONTAINING METHYLSTYRENE BRIDGESTONE CORPORATION (JP) 2017-01-05 US disclosed
US-20170002105-A1 POLYMERS INCORPORATING HYDROXYL GROUP-CONTAINING METHYLSTYRENE BRIDGESTONE CORPORATION (JP) 2017-01-05 US disclosed
US-20170002105-A1 POLYMERS INCORPORATING HYDROXYL GROUP-CONTAINING METHYLSTYRENE BRIDGESTONE CORPORATION (JP) 2017-01-05 US disclosed
US-20160376263-A1 BITTER TASTE MODIFIERS INCLUDING SUBSTITUTED 1-BENZYL-3-(1-(ISOXAZOL-4-YLMETHYL)-1H-PYRAZOL-4-YL)IMIDAZOLIDINE-2,4-DIONES AND COMPOSITIONS THEREOF SENOMYX INC (US) 2016-12-29 US disclosed
US-7205425-B2 Optically active nitro alcohol derivatives, optically active amino alcohol derivatives, and process for producing thereof CHISSO CORPORATION (JP) 2007-04-17 US disclosed
US-20070060656-A1 Optically active nitro alcohol derivatives, optically active amino alcohol derivatives, and process for producing thereof SHIBASAKI MASAKATSU 2007-03-15 US disclosed
US-20050240062-A1 Structural modification of resveratrol: Sodium resverastatin phosphate NATIONAL INSTITUTES OF HEALTH 2005-10-27 US disclosed
US-20050148801-A1 Optically active nitro alcohol derivatives, optically active amino alcohol derivatives, and process for producing thereof JNC CORPORATION (JP) 2005-07-07 US disclosed
EP-0947498-B1 OPTICALLY ACTIVE NITRO ALCOHOL DERIVATIVES, OPTICALLY ACTIVE AMINO ALCOHOL DERIVATIVES, AND PROCESS FOR PREPARING THE SAME CHISSO CORP (JP) 2004-09-15 EP disclosed
WO-2003086414-A1 STRUCTURAL MODIFICATION OF RESVERATROL: SODIUM RESVERASTATIN PHOSPHATE ARIZONA BOARD OF REGENTS (US) 2003-10-23 WO disclosed
US-6632955-B1 Optically active 1-substituted phenyl-2-nitro alcohol derivatives which are useful pharmaceutical intermediates. Enantiomotphs active 1-substituted phenyl-2-nitro alcohol derivatives. From these nitro alcohol such as albutramin and CHISSO CORPORATION (JP) 2003-10-14 US disclosed
WO-2003024909-A1 METHOD OF PREPARING SYMMETRICAL POLYHYDROXYSTILBENES L'OREAL (FR) 2003-03-27 WO disclosed
US-20020193447-A1 Optically active nitro alcohol derivatives, optically active amino alcohol derivatives, and process for producing thereof JNC CORPORATION (JP) 2002-12-19 US disclosed
EP-0947498-A1 OPTICALLY ACTIVE NITRO ALCOHOL DERIVATIVES, OPTICALLY ACTIVE AMINO ALCOHOL DERIVATES, AND PROCESS FOR PREPARING THE SAME CHISSO CORPORATION (JP) 1999-10-06 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 (6 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-20050148801-A1 Optically active nitro alcohol derivatives, optically active amino alcohol derivatives, and process for producing thereof ADH1A, ALDH7A1, ADRB1 CA12 4736/4885CA1 4707/4885CA9 4061/4885
US-20160376263-A1 BITTER TASTE MODIFIERS INCLUDING SUBSTITUTED 1-BENZYL-3-(1-(ISOXAZOL-4-YLMETHYL)-1H-PYRAZOL-4-YL)IMIDAZOLIDINE-2,4-DIONES AND COMPOSITIONS THEREOF TAS2R5, TAS1R1, TAS2R1 CA12 4128/4885CA1 3404/4885CA9 2662/4885
US-20050240062-A1 Structural modification of resveratrol: Sodium resverastatin phosphate PI4KB, HDAC4, PIK3CA CA12 3079/4885CA1 2484/4885CA9 1412/4885
US-20070060656-A1 Optically active nitro alcohol derivatives, optically active amino alcohol derivatives, and process for producing thereof ADH1A, ALDH7A1, ADRB1 CA12 4736/4885CA1 4707/4885CA9 4061/4885
US-20200188878-A1 MOLECULARLY IMPRINTED POLYMERS IPMK, MPI, PIM3 CA12 1571/4885CA1 2621/4885CA9 397/4885
US-20020193447-A1 Optically active nitro alcohol derivatives, optically active amino alcohol derivatives, and process for producing thereof ADH1A, ALDH7A1, SARM1 CA12 4777/4885CA1 4704/4885CA9 4212/4885

“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.