SCHEMBL2743885

SCHEMBL2743885

COCOc1cc(C=CC(=O)C=Cc2cc(OCOC)cc(OCOC)c2)cc(OCOC)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.49
CYP2D6 P10635 4/20 0.49
CYP3A4 P08684 2/20 0.49
CYP2C9 P11712 2/20 0.49
CYP2B6 P20813 2/20 0.49
F3 P13726 1/20 0.47
ALOX5 P09917 3/20 0.46
NFKB1 P19838 3/20 0.46
STAT3 P40763 3/20 0.46
NFKB2 Q00653 3/20 0.46
RELA Q04206 3/20 0.46
NFE2L2 Q16236 2/20 0.46
BACE1 P56817 3/20 0.45
HSD11B1 P28845 1/20 0.41
CYP1A1 P04798 2/20 0.41
CYP1B1 Q16678 2/20 0.41
FOS P01100 1/20 0.41
JUN P05412 1/20 0.41
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41

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
SCHEMBL2743884 1.00 CYP1A2 (0.49) CYP1A2CYP2D6CYP3A4CYP2C9CYP2B6
SCHEMBL2744170 0.81 CYP1A2 (0.46) CYP1A2CYP2D6CYP3A4CYP2C9CYP2B6
SCHEMBL2744177 0.81 CYP1A2 (0.46) CYP1A2CYP2D6CYP3A4CYP2C9CYP2B6
SCHEMBL5598963 0.80 F3 (0.66) CYP1A2CYP2D6CYP3A4CYP2C9CYP2B6
SCHEMBL5598966 0.80 F3 (0.66) CYP1A2CYP2D6CYP3A4CYP2C9CYP2B6
SCHEMBL2743832 0.79 CYP1A2 (0.61) CYP1A2CYP2D6CYP3A4CYP2C9CYP2B6
SCHEMBL2743834 0.79 CYP1A2 (0.61) CYP1A2CYP2D6CYP3A4CYP2C9CYP2B6
SCHEMBL29606654 0.78 F3 (0.63) CYP1A2CYP2D6CYP3A4CYP2C9CYP2B6
SCHEMBL1486859 0.76 NPC1 (0.39) CYP1A1CYP1B1MAPT
SCHEMBL2743993 0.76 NFKB1 (0.56) CYP1A2CYP2D6ALOX5NFKB1STAT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10751330-B2 Human therapeutic agents ANKH LIFE SCIENCES LIMITED (IE) 2020-08-25 US claimed
US-20200147061-A1 HUMAN THERAPEUTIC AGENTS ANKH LIFE SCIENCES LIMITED (IE) 2020-05-14 US claimed
US-10092550-B2 Therapeutic compositions containing curcumin, harmine, and isovanillin components, and methods of use thereof IONS PHARMACEUTICAL S.À R.L. (LU) 2018-10-09 US claimed
US-20170042865-A1 THERAPEUTIC COMPOSITIONS CONTAINING CURCUMIN, HARMINE, AND ISOVANILLIN COMPONENTS, AND METHODS OF USE THEREOF IONS PHARMACEUTICAL S.À R.L. (LU) 2017-02-16 US claimed
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 claimed
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-12053440-B2 Inhibition of COVID-19 virus by formulations containing curcumin, harmine, and isovanillin ANKH LIFE SCIENCES LIMITED (IE) 2024-08-06 US disclosed
US-20220193007-A1 INHIBITION OF COVID-19 VIRUS BY MULTIPLE-COMPONENT FORMULATIONS ANKH LIFE SCIENCES LIMITED (IE) 2022-06-23 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 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 CYP1A2 1717/4885CYP2D6 1871/4885CYP3A4 2309/4885
US-20220193007-A1 INHIBITION OF COVID-19 VIRUS BY MULTIPLE-COMPONENT FORMULATIONS IDO2, IDO1, MAVS CYP1A2 275/4885CYP2D6 626/4885CYP3A4 185/4885
US-10751330-B2 Human therapeutic agents INMT, HNMT, HASPIN CYP1A2 2166/4885CYP2D6 2367/4885CYP3A4 1778/4885
US-20170042865-A1 THERAPEUTIC COMPOSITIONS CONTAINING CURCUMIN, HARMINE, AND ISOVANILLIN COMPONENTS, AND METHODS OF USE THEREOF INMT, HNMT, CPT1A CYP1A2 1194/4885CYP2D6 2218/4885CYP3A4 1136/4885
US-10092550-B2 Therapeutic compositions containing curcumin, harmine, and isovanillin components, and methods of use thereof INMT, HNMT, CPT1A CYP1A2 1194/4885CYP2D6 2218/4885CYP3A4 1136/4885
US-12053440-B2 Inhibition of COVID-19 virus by formulations containing curcumin, harmine, and isovanillin MAVS, IDO2, IDO1 CYP1A2 362/4885CYP2D6 744/4885CYP3A4 287/4885
US-20200147061-A1 HUMAN THERAPEUTIC AGENTS INMT, HNMT, HASPIN CYP1A2 2166/4885CYP2D6 2367/4885CYP3A4 1778/4885

“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.