SCHEMBL326803

SCHEMBL326803

CCOc1ccc(OCC)c(CC)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.52
KDM4E B2RXH2 1/20 0.51
MAPT P10636 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MTNR1A P48039 1/20 0.47
MTNR1B P49286 1/20 0.47
TSHR P16473 3/20 0.46
ALDH1A1 P00352 3/20 0.46
ESR2 Q92731 1/20 0.46
HSD17B10 Q99714 1/20 0.46
HPGD P15428 1/20 0.46
EPHX1 P07099 1/20 0.45
GAA P10253 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CYP1A2 P05177 1/20 0.43
CA4 P22748 1/20 0.43
CA6 P23280 1/20 0.43

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
SCHEMBL16622151 0.91 KDM4E (0.45) NQO1KDM4EMAPTNPSR1L3MBTL1
SCHEMBL7666973 0.88 KDM4E (0.49) NQO1KDM4EMAPTNPSR1L3MBTL1
SCHEMBL28029625 0.84 KDM4E (0.49) NQO1KDM4EMAPTMTNR1AMTNR1B
SCHEMBL3742706 0.84 KDM4E (0.49) NQO1KDM4EMTNR1AMTNR1BTSHR
SCHEMBL10673171 0.84 NQO1 (0.48) NQO1KDM4EMAPTMTNR1AMTNR1B
SCHEMBL30072284 0.84 KDM4E (0.49) NQO1KDM4EMTNR1AMTNR1BTSHR
SCHEMBL15974948 0.83 KDM4E (0.45) NQO1KDM4EMAPTMTNR1AMTNR1B
SCHEMBL13990807 0.83 KDM4E (0.56) NQO1KDM4EMAPTNPSR1L3MBTL1
SCHEMBL7083444 0.83 NQO1 (0.56) NQO1KDM4EMAPTL3MBTL1TSHR
SCHEMBL25460930 0.82 NQO1 (0.46) NQO1KDM4EMAPTMTNR1AMTNR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117165157-A Multistage polymer latex, coating containing the latex and coated articles 宣伟投资管理有限公司 2023-12-05 CN disclosed
CN-117126576-A Multistage polymer latex, coating containing the latex and coated articles 宣伟投资管理有限公司 2023-11-28 CN disclosed
CN-114525072-A Polyethers containing cyclic groups other than bisphenols 宣伟投资管理有限公司 2022-05-24 CN disclosed
CN-110139805-B Packaging coating resins derived from the reaction of phenols with polyolefinic terpenes 宣伟投资管理有限公司 2022-02-11 CN disclosed
CN-113980537-A Styrene-free copolymer and coating composition containing the same SWIMC有限公司 2022-01-28 CN disclosed
CN-109415585-B Styrene-free copolymer and coating composition containing the same SWIMC有限公司 2021-10-26 CN disclosed
CN-111278933-A Multistage polymer latex, coating containing the same and articles coated therewith 宣伟投资管理有限公司 2020-06-12 CN disclosed
CN-111247213-A Multistage polymer latex, coating containing the same and articles coated therewith 宣伟投资管理有限公司 2020-06-05 CN disclosed
CN-106164171-B Polyester coating compositions comprising polymers derived from cyclic carbonates 宣伟投资管理有限公司 2020-03-03 CN disclosed
CN-104540744-A Container coating system VALSPAR SOURCING INC 2015-04-22 CN disclosed
WO-2014074660-A1 ALKYL-AMIDE-SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFNα RESPONSES BRISTOL-MYERS SQUIBB COMPANY (US) 2014-05-15 WO disclosed
US-8133898-B2 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-13 US disclosed
US-20100137310-A1 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-03 US disclosed
US-20080312435-A1 Imine Compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-12-18 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 (2 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-20080312435-A1 Imine Compound CNR1, CNR2, HRH4 NQO1 1815/4885KDM4E 3386/4885MAPT 4160/4885
US-20100137310-A1 RENIN INHIBITORS REN, ACE, PRSS3 NQO1 174/4885KDM4E 3124/4885MAPT 3373/4885

“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.