SCHEMBL2744232

SCHEMBL2744232

COc1cc(C=O)cc(OC)c1OCCO

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 2/20 0.54
FDPS P14324 1/20 0.51
ALDH1A1 P00352 8/20 0.51
MAPK1 P28482 1/20 0.51
TRIM24 O15164 1/20 0.46
HPGD P15428 1/20 0.46
ALDH5A1 P51649 1/20 0.46
ABAT P80404 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
TRIM33 Q9UPN9 1/20 0.46
MAPT P10636 3/20 0.46
TSHR P16473 2/20 0.46
MEN1 O00255 1/20 0.46
POLB P06746 1/20 0.46
GAA P10253 1/20 0.46
KMT2A Q03164 1/20 0.46
TNFRSF1A P19438 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.44
PDCD1 Q15116 1/20 0.43
CD274 Q9NZQ7 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
Syringaldehyde SCHEMBL9370844 0.94 TUBB1 (0.49) TUBB1FDPSALDH1A1MAPK1TRIM24
SCHEMBL7122419 0.91 TUBB1 (0.49) TUBB1FDPSALDH1A1MAPK1TRIM24
SCHEMBL13168474 0.91 FDPS (0.50) TUBB1FDPSALDH1A1MAPK1TRIM24
SCHEMBL19737048 0.90 TUBB1 (0.50) TUBB1FDPSALDH1A1MAPK1TRIM24
SCHEMBL15771884 0.89 ALDH1A1 (0.51) TUBB1FDPSALDH1A1MAPK1HPGD
SCHEMBL9153088 0.89 ALDH1A1 (0.67) TUBB1FDPSALDH1A1MAPK1HPGD
SCHEMBL14723251 0.89 TUBB1 (0.49) TUBB1FDPSALDH1A1MAPK1TRIM24
SCHEMBL8615157 0.86 FDPS (0.54) FDPSALDH1A1MAPK1TRIM24HPGD
SCHEMBL6739941 0.86 FDPS (0.54) FDPSALDH1A1MAPK1TRIM24HPGD
SCHEMBL7466433 0.84 FDPS (0.53) TUBB1FDPSALDH1A1MAPK1TRIM24

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110002972-B Method for depolymerizing lignin into aromatic compounds through photocatalysis 吉林大学 2021-07-27 CN disclosed
US-8883931-B2 Polynitrones and use thereof for cross-linking unsaturated polymers HEINRICH-HEINE-UNIVERSITAT (DE) 2014-11-11 US disclosed
US-8883931-B2 Polynitrones and use thereof for cross-linking unsaturated polymers HEINRICH-HEINE-UNIVERSITAT (DE) 2014-11-11 US disclosed
US-8883931-B2 Polynitrones and use thereof for cross-linking unsaturated polymers HEINRICH-HEINE-UNIVERSITAT (DE) 2014-11-11 US disclosed
US-8178727-B2 Bis(arylmethylidene)acetone compound, anti-cancer agent, carcinogenesis-preventive agent, inhibitor of expression of Ki-Ras, ErbB2, c-Myc and Cycline D1, β-catenin-degrading agent, and p53 expression enhancer NATIONAL UNIVERSITY CORPORATION TOHOKU UNIVERSITY (JP) 2012-05-15 US disclosed
US-20100273910-A1 POLYNITRONES AND USE THEREOF FOR CROSS-LINKING UNSATURATED POLYMERS HEINRICH-HEINE-UNIVERSITÄT (DE) 2010-10-28 US disclosed
US-20100273910-A1 POLYNITRONES AND USE THEREOF FOR CROSS-LINKING UNSATURATED POLYMERS HEINRICH-HEINE-UNIVERSITÄT (DE) 2010-10-28 US disclosed
US-20100273910-A1 POLYNITRONES AND USE THEREOF FOR CROSS-LINKING UNSATURATED POLYMERS HEINRICH-HEINE-UNIVERSITÄT (DE) 2010-10-28 US disclosed
EP-2225321-A1 POLYNITRONS, AND USE THEREOF FOR CROSS-LINKING UNSATURATED POLYMERS Heinrich-Heine-Universität (DE) 2010-09-08 EP disclosed
US-20100152493-A1 BIS(ARYLMETHYLIDENE)ACETONE COMPOUND, ANTI-CANCER AGENT, CARCINOGENESIS-PREVENTIVE AGENT, INHIBITOR OF EXPRESSION OF Ki-Ras, ErbB2, c-Myc AND CYCLINE D1, BETA-CATENIN-DEGRADING AGENT, AND p53 EXPRESSION ENHANCER SHIBATA, HIROYUKI (JP) 2010-06-17 US disclosed
WO-2009074310-A1 POLYNITRONS, AND USE THEREOF FOR CROSS-LINKING UNSATURATED POLYMERS HEINRICH-HEINE-UNIVERSITÄT (DE) 2009-06-18 WO disclosed
WO-2009074310-A1 POLYNITRONS, AND USE THEREOF FOR CROSS-LINKING UNSATURATED POLYMERS HEINRICH-HEINE-UNIVERSITÄT (DE) 2009-06-18 WO disclosed
US-5639782-A ANTIINFLAMMATORY AGENT; ANTIALLERGENS CENTER FOR INNOVATIVE TECHNOLOGY (US) 1997-06-17 US disclosed
EP-0574510-A4 NEOLIGNAN DERIVATIVES AS PLATELET ACTIVATING FACTOR RECEPTOR ANTAGONISTS AND 5-LIPOXYGENASE INHIBITORS INNOVATIVE TECH CENTER (US) 1994-07-06 EP disclosed
EP-0574510-A1 NEOLIGNAN DERIVATIVES AS PLATELET ACTIVATING FACTOR RECEPTOR ANTAGONISTS AND 5-LIPOXYGENASE INHIBITORS CENTER FOR INNOVATIVE TECHNOLOGY (US) 1993-12-22 EP disclosed
WO-1992015294-A1 NEOLIGNAN DERIVATIVES AS PLATELET ACTIVATING FACTOR RECEPTOR ANTAGONISTS AND 5-LIPOXYGENASE INHIBITORS CENTER FOR INNOVATIVE TECHNOLOGY (US) 1992-09-17 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 (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-20100152493-A1 BIS(ARYLMETHYLIDENE)ACETONE COMPOUND, ANTI-CANCER AGENT, CARCINOGENESIS-PREVENTIVE AGENT, INHIBITOR OF EXPRESSION OF Ki-Ras, ErbB2, c-Myc AND CYCLINE D1, BETA-CATENIN-DEGRADING AGENT, AND p53 EXPRESSION ENHANCER MYC, CCNE2, CCNE1 TUBB1 723/4885FDPS 3613/4885ALDH1A1 614/4885
US-20100273910-A1 POLYNITRONES AND USE THEREOF FOR CROSS-LINKING UNSATURATED POLYMERS PNN, MNAT1, NCL TUBB1 1800/4885FDPS 954/4885ALDH1A1 859/4885

“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.