SCHEMBL292142

SCHEMBL292142

[CH2]c1ccc(OCOCC[Si](C)(C)C)cc1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.32
MDM2 Q00987 1/20 0.32
NQO1 P15559 1/20 0.32
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP19A1 P11511 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
DGAT1 O75907 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
PDE10A Q9Y233 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
SCHEMBL15516640 0.81 TDP1 (0.48) ALOX5APFEN1CYP3A4
SCHEMBL2471286 0.81 KDM4E (0.41) DGAT1
SCHEMBL11889100 0.81 LTA4H (0.46) CYP1A2CYP2C19
SCHEMBL8216043 0.81 KCNA3 (0.46)
SCHEMBL18986019 0.81 KMT2A (0.44) ALOX5APFEN1PDE10A
SCHEMBL22198886 0.80 MTNR1A (0.40) TP53
SCHEMBL4050696 0.79 TP53 (0.33) TP53MDM2ALOX5APFEN1CYP1A2
SCHEMBL13986929 0.79 KEAP1 (0.49) TP53MDM2
SCHEMBL6041849 0.79 TDP1 (0.33) TP53MDM2ALOX5APFEN1DGAT1
SCHEMBL2133211 0.79 ALDH1A1 (0.45) DGAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2727915-B1 Synthesis of deuterated catechols and benzo[d][1,3]dioxoles and derivatives thereof CONCERT PHARMACEUTICALS INC (US) 2016-04-13 EP claimed
EP-2727915-A1 Synthesis of deuterated catechols and benzo[d][1,3]dioxoles and derivatives thereof Concert Pharmaceuticals Inc. (US) 2014-05-07 EP claimed
CN-114736219-B Antitumor compounds 法马马有限公司 2024-06-07 CN disclosed
CN-114751920-B Antitumor compounds 法马马有限公司 2024-06-07 CN disclosed
CN-118139851-A Antitumor compounds 法马马有限公司 2024-06-04 CN disclosed
US-11999757-B2 Synthesis of boronate ester derivatives and uses thereof MELINTA SUBSIDIARY CORP. (US) 2024-06-04 US disclosed
US-20240166666-A1 ANTITUMORAL COMPOUNDS PHARMA MAR SA (ES) 2024-05-23 US disclosed
CN-111556872-B Synthesis of borate derivatives and uses thereof 梅琳塔治疗公司 2024-05-10 CN disclosed
CN-117986153-A Ionizable cationic lipid compound, and preparation method and application thereof 晟迪生物医药(苏州)有限公司 2024-05-07 CN disclosed
US-20240131180-A1 DRUG ANTIBODY CONJUGATES PHARMA MAR, S.A. (ES) 2024-04-25 US disclosed
EP-4356736-A2 SYNTHESIS OF BORONATE SALTS Melinta Therapeutics, Inc. (US) 2024-04-24 EP disclosed
EP-2183229-A1 SYNTHESIS OF INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 Vitae Pharmaceuticals, Inc. (US) 2010-05-12 EP disclosed
US-20100048690-A2 ANTITUMORAL DIHYDROPYRAN-2-ONE COMPOUNDS PHARMA MAR, S.A. (ES) 2010-02-25 US disclosed
WO-2010010150-A1 SYNTHESIS OF INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-01-28 WO disclosed
US-20090186938-A1 ANTITUMORAL DIHYDROPYRAN-2-ONE COMPOUNDS PHARMA MAR, S.A. (ES) 2009-07-23 US disclosed
US-20090143432-A1 Synthesis of deuterated catechols and benzo[D][1,3]dioxoles and derivatives thereof CONCERT PHARMACEUTICALS, INC. (US) 2009-06-04 US disclosed
WO-2009035652-A1 SYNTHESIS OF DEUTERATED CATECHOLS AND BENZO[D][1,3] DIOXOLES AND DERIVATIVES THEREOF CONCERT PHARMACEUTICALS, INC. (US) 2009-03-19 WO disclosed
EP-2032551-A1 ANTITUMORAL DIHYDROPYRAN-2-ONE COMPOUNDS PHARMA MAR, S.A. (ES) 2009-03-11 EP disclosed
WO-2009017671-A1 SYNTHESIS OF INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 VITAE PHARMACEUTICALS, INC. (US) 2009-02-05 WO disclosed
WO-2007144423-A1 ANTITUMORAL DIHYDROPYRAN-2-ONE COMPOUNDS PHARMA MAR, S.A. (ES) 2007-12-21 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 (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-20100048690-A2 ANTITUMORAL DIHYDROPYRAN-2-ONE COMPOUNDS RPLP1, PKD1, KRAS TP53 5/4885MDM2 1254/4885NQO1 692/4885
US-20240131180-A1 DRUG ANTIBODY CONJUGATES STT3B, STT3A, TTL TP53 670/4885MDM2 3347/4885NQO1 585/4885
US-11999757-B2 Synthesis of boronate ester derivatives and uses thereof ADH5, ADH1A, ADH7 TP53 4688/4885MDM2 4787/4885NQO1 116/4885
US-20090143432-A1 Synthesis of deuterated catechols and benzo[D][1,3]dioxoles and derivatives thereof COMT, DRD2, DRD3 TP53 3644/4885MDM2 811/4885NQO1 32/4885
US-20240166666-A1 ANTITUMORAL COMPOUNDS TP53, TOP1, MCL1 TP53 1/4885MDM2 868/4885NQO1 81/4885
US-20090186938-A1 ANTITUMORAL DIHYDROPYRAN-2-ONE COMPOUNDS RPLP1, PKD1, KRAS TP53 5/4885MDM2 1254/4885NQO1 692/4885

“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.