SCHEMBL2622435

SCHEMBL2622435

COc1cc(/C=C/C(=O)CC(=O)/C=C/c2ccc(O)c(OC)c2)ccc1C

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 10/20 0.86
MAPT P10636 9/20 0.86
BACE1 P56817 5/20 0.86
MMP9 P14780 4/20 0.86
NFKB1 P19838 3/20 0.86
CYP2D6 P10635 2/20 0.86
CYP2C9 P11712 2/20 0.86
TSHR P16473 2/20 0.86
HSD17B10 Q99714 2/20 0.86
ABCB1 P08183 2/20 0.86
AKR1B1 P15121 2/20 0.86
MAOA P21397 2/20 0.86
MAOB P27338 2/20 0.86
HDAC3 O15379 2/20 0.86
HDAC1 Q13547 2/20 0.86
HDAC2 Q92769 2/20 0.86
HDAC6 Q9UBN7 2/20 0.86
ALOX5 P09917 2/20 0.86
STAT3 P40763 2/20 0.86
NFKB2 Q00653 2/20 0.86

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
SCHEMBL13469154 1.00 APP (0.86) APPMAPTBACE1MMP9NFKB1
SCHEMBL3211934 0.93 APP (0.84) APPMAPTBACE1MMP9NFKB1
SCHEMBL3211947 0.93 APP (0.84) APPMAPTBACE1MMP9NFKB1
Curcumin SCHEMBL17629819 0.93 APP (1.00) APPMAPTBACE1MMP9NFKB1
Curcumin SCHEMBL8440 0.93 APP (1.00) APPMAPTBACE1MMP9NFKB1
Curcumin SCHEMBL8336603 0.93 APP (1.00) APPMAPTBACE1MMP9NFKB1
Curcumin SCHEMBL6901740 0.93 APP (1.00) APPMAPTBACE1MMP9NFKB1
Curcumin SCHEMBL2804734 0.93 APP (1.00) APPMAPTBACE1MMP9NFKB1
Curcumin SCHEMBL250984 0.93 APP (1.00) APPMAPTBACE1MMP9NFKB1
SCHEMBL14495458 0.93 NFE2L2 (0.77) APPMAPTBACE1MMP9NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230192786-A1 STAT3 INHIBITION FOR TREATMENT AND PREVENTION OF HUMAN CORONAVIRUS INFECTION GLG PHARMA LLC (US) 2023-06-22 US disclosed
EP-3090748-B1 COMPOSITIONS COMPRISING NUCLEOTIDE AND OLIGONUCLEOTIDE PRODRUGS SPRING BANK PHARMACEUTICALS INC (US) 2019-02-20 EP disclosed
WO-2017194590-A1 PROCESS FOR THE MANUFACTURE OF HYDROXY-SUBSTITUTED AROMATIC COMPOUNDS BASF SE (DE) 2017-11-16 WO disclosed
US-9757407-B2 Treatment of viral infections by modulation of host cell metabolic pathways THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2017-09-12 US disclosed
US-20160346309-A1 TREATMENT OF VIRAL INFECTIONS BY MODULATION OF HOST CELL METABOLIC PATHWAYS UNIV PRINCETON (US) 2016-12-01 US disclosed
US-9029413-B2 Treatment of viral infections by modulation of host cell metabolic pathways THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2015-05-12 US disclosed
US-8487139-B2 Curcumin and tetrahydrocurcumin derivatives THE RESEARCH FOUNDATION OF THE CITY UNIVERSITY OF NEW YORK 2013-07-16 US disclosed
US-8487139-B2 Curcumin and tetrahydrocurcumin derivatives THE RESEARCH FOUNDATION OF THE CITY UNIVERSITY OF NEW YORK 2013-07-16 US disclosed
US-20130065850-A1 TREATMENT OF VIRAL INFECTIONS BY MODULATION OF HOST CELL METABOLIC PATHWAYS THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2013-03-14 US disclosed
US-8158677-B2 Treatment of viral infections by modulation of host cell metabolic pathways THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2012-04-17 US disclosed
US-20110064720-A1 Dietary Supplement Compositions and Methods of Making and Using the Same AMATO DANIEL MOSES 2011-03-17 US disclosed
US-20110064712-A1 Dietary Supplement Compositions and Methods of Making and Using the Same AMATO DANIEL MOSES 2011-03-17 US disclosed
US-20100240905-A1 Novel Curcumin and Tetrahydrocurcumin Derivatives RESEARCH FOUNDATION OF CITY UNIVERSITY OF NEW YORK (US) 2010-09-23 US disclosed
US-20100240905-A1 Novel Curcumin and Tetrahydrocurcumin Derivatives RESEARCH FOUNDATION OF CITY UNIVERSITY OF NEW YORK (US) 2010-09-23 US disclosed
US-20090239830-A1 Treatment of viral infections by modulation of host cell metabolic pathways KADMON CORPORATION, LLC 2009-09-24 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 (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-20090239830-A1 Treatment of viral infections by modulation of host cell metabolic pathways GOT2, MAVS, ME3 APP 3745/4885MAPT 2526/4885BACE1 2224/4885
US-20110064720-A1 Dietary Supplement Compositions and Methods of Making and Using the Same SLC5A6, PNLIP, LIPC APP 3242/4885MAPT 3584/4885BACE1 3892/4885
US-20100240905-A1 Novel Curcumin and Tetrahydrocurcumin Derivatives BHMT2, HMOX1, DEPTOR APP 694/4885MAPT 735/4885BACE1 1739/4885
US-20160346309-A1 TREATMENT OF VIRAL INFECTIONS BY MODULATION OF HOST CELL METABOLIC PATHWAYS GOT2, MAVS, ME3 APP 3745/4885MAPT 2526/4885BACE1 2224/4885
US-20110064712-A1 Dietary Supplement Compositions and Methods of Making and Using the Same SLC5A6, PNLIP, LIPC APP 3242/4885MAPT 3584/4885BACE1 3892/4885
US-20130065850-A1 TREATMENT OF VIRAL INFECTIONS BY MODULATION OF HOST CELL METABOLIC PATHWAYS GOT2, MAVS, ME3 APP 3745/4885MAPT 2526/4885BACE1 2224/4885

“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.