SCHEMBL2622443

SCHEMBL2622443

CCOc1cc(/C=C/C(=O)CC(=O)/C=C/c2ccc(O)c(OCC)c2)ccc1C

nearest known ligand 0.87

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 4/20 0.87
APP P05067 5/20 0.64
BACE1 P56817 4/20 0.64
MAPT P10636 3/20 0.64
MAOB P27338 3/20 0.64
MMP9 P14780 3/20 0.64
NFKB1 P19838 3/20 0.64
CYP2D6 P10635 2/20 0.64
CYP2C9 P11712 2/20 0.64
TSHR P16473 2/20 0.64
HSD17B10 Q99714 2/20 0.64
ABCB1 P08183 2/20 0.64
AKR1B1 P15121 2/20 0.64
MAOA P21397 2/20 0.64
ALDH1A1 P00352 2/20 0.64
HDAC3 O15379 2/20 0.64
HDAC1 Q13547 2/20 0.64
HDAC2 Q92769 2/20 0.64
HDAC6 Q9UBN7 2/20 0.64
ALOX5 P09917 2/20 0.64

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
Ethyl Curcumin SCHEMBL8965263 0.93 TOP2A (1.00) TOP2AAPPBACE1MAPTMAOB
Ethyl Curcumin SCHEMBL8965258 0.93 TOP2A (1.00) TOP2AAPPBACE1MAPTMAOB
Water SCHEMBL28118110 0.90 TOP2A (0.87) TOP2AAPPBACE1MAPTMAOB
SCHEMBL29929626 0.88 TOP2A (0.89) TOP2AAPPBACE1MAPTMAOB
SCHEMBL27686673 0.88 TOP2A (0.89) TOP2AAPPBACE1MAPTMAOB
SCHEMBL1374497 0.88 TOP2A (0.89) TOP2AAPPBACE1MAPTMAOB
SCHEMBL27211484 0.86 TOP2A (0.86) TOP2AAPPBACE1MAPTMAOB
SCHEMBL13469154 0.84 APP (0.86) TOP2AAPPBACE1MAPTMAOB
SCHEMBL2622435 0.84 APP (0.86) TOP2AAPPBACE1MAPTMAOB
SCHEMBL13953311 0.84 TOP2A (0.81) TOP2AAPPBACE1MAPTMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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 (3 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 TOP2A 2317/4885APP 3745/4885BACE1 2224/4885
US-20160346309-A1 TREATMENT OF VIRAL INFECTIONS BY MODULATION OF HOST CELL METABOLIC PATHWAYS GOT2, MAVS, ME3 TOP2A 2317/4885APP 3745/4885BACE1 2224/4885
US-20130065850-A1 TREATMENT OF VIRAL INFECTIONS BY MODULATION OF HOST CELL METABOLIC PATHWAYS GOT2, MAVS, ME3 TOP2A 2317/4885APP 3745/4885BACE1 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.