SCHEMBL2744353

SCHEMBL2744353

COc1cccc(C=CC(=O)C=Cc2cccc(OC)c2OC)c1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 4/20 1.00
TFEB P19484 1/20 0.72
LY96 Q9Y6Y9 2/20 0.67
CYP1A1 P04798 1/20 0.65
CYP1A2 P05177 1/20 0.65
CYP2D6 P10635 1/20 0.65
ALOX5 P09917 1/20 0.65
TRPM8 Q7Z2W7 1/20 0.65
NPC1 O15118 3/20 0.62
RAB9A P51151 3/20 0.62
MAPT P10636 2/20 0.62
TDP1 Q9NUW8 2/20 0.62
KDM4E B2RXH2 1/20 0.62
MAPK1 P28482 1/20 0.62
ATM Q13315 1/20 0.62
NPSR1 Q6W5P4 1/20 0.62
MAOB P27338 2/20 0.62
PRMT1 Q99873 1/20 0.58
KMT2A Q03164 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58

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
SCHEMBL2744350 1.00 NFE2L2 (1.00) NFE2L2TFEBLY96CYP1A1CYP1A2
SCHEMBL14571866 0.89 NFE2L2 (0.80) NFE2L2TFEBLY96CYP1A1CYP1A2
SCHEMBL16382579 0.89 NFE2L2 (0.78) NFE2L2TFEBLY96CYP1A1CYP1A2
SCHEMBL6776487 0.88 NFE2L2 (0.79) NFE2L2TFEBCYP1A1CYP1A2CYP2D6
SCHEMBL457033 0.88 NFE2L2 (0.79) NFE2L2TFEBCYP1A1CYP1A2CYP2D6
SCHEMBL14950768 0.88 NFE2L2 (0.79) NFE2L2TFEBLY96CYP1A1CYP1A2
SCHEMBL1056670 0.88 NFE2L2 (0.79) NFE2L2TFEBCYP1A1CYP1A2CYP2D6
SCHEMBL7438631 0.87 NFE2L2 (0.77) NFE2L2CYP1A1CYP1A2CYP2D6ALOX5
SCHEMBL5598884 0.87 NFE2L2 (1.00) NFE2L2CYP1A1CYP1A2CYP2D6ALOX5
SCHEMBL7438622 0.87 NFE2L2 (0.77) NFE2L2CYP1A1CYP1A2CYP2D6ALOX5

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
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 claimed
US-20160039734-A1 THERAPEUTIC CURCUMIN DERIVATIVES STC UNM (US) 2016-02-11 US disclosed
US-9187397-B2 Therapeutic curcumin derivatives STC.UNM (US) 2015-11-17 US disclosed
US-20150011494-A1 THERAPEUTIC CURCUMIN DERIVATIVES STC.UNM 2015-01-08 US disclosed
US-8841326-B2 Therapeutic curcumin derivatives STC.UNM (US) 2014-09-23 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-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
US-20070060644-A1 Therapeutic curcumin derivatives STC.UNM 2007-03-15 US disclosed
US-20060276536-A1 Cancer treatment using curcumin derivatives STC.UNM 2006-12-07 US disclosed
EP-0771196-B1 EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS LILLY CO ELI (US) 1999-12-08 EP disclosed
US-5717109-A CARBOXYCYCLOPROPYL GLYCINE DERIVATIVES; USEFUL FOR TREATMENT OF ACUTE OR CHRONIC NEURODEGENERATIVE CONDITIONS, AND AS ANTIPSYCHOTIC, ANTICONVULSANT, ANALGESIC, ANXIOLYTIC, ANTIDEPRESSANT AND ANTI-EMETIC AGENTS ELI LILLY AND COMPANY (US) 1998-02-10 US disclosed
EP-0771196-A4 EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS LILLY CO ELI (US) 1997-09-03 EP disclosed
EP-0771196-A1 EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1997-05-07 EP disclosed
WO-1996007405-A1 EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1996-03-14 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 (5 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 NFE2L2 109/4885TFEB 293/4885LY96 2884/4885
US-20160039734-A1 THERAPEUTIC CURCUMIN DERIVATIVES FABP2, GLS2, FABP1 NFE2L2 75/4885TFEB 19/4885LY96 1750/4885
US-20070060644-A1 Therapeutic curcumin derivatives FABP2, GLS2, FABP1 NFE2L2 75/4885TFEB 19/4885LY96 1750/4885
US-20150011494-A1 THERAPEUTIC CURCUMIN DERIVATIVES FABP2, GLS2, FABP1 NFE2L2 75/4885TFEB 19/4885LY96 1750/4885
US-20060276536-A1 Cancer treatment using curcumin derivatives BRCA1, VHL, TP53 NFE2L2 5/4885TFEB 346/4885LY96 1332/4885

“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.