SCHEMBL856842

SCHEMBL856842

COc1cc(C=O)ccc1OCc1ccc(C(F)(F)F)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.60
MAPT P10636 4/20 0.60
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
FDPS P14324 1/20 0.58
SMN1; SMN2 Q16637 7/20 0.58
PDCD1 Q15116 1/20 0.55
CD274 Q9NZQ7 1/20 0.55
TACR2 P21452 1/20 0.54
TSHR P16473 1/20 0.54
NPC1 O15118 4/20 0.53
RAB9A P51151 4/20 0.53
HTT P42858 2/20 0.53
POLB P06746 2/20 0.49
TP53 P04637 1/20 0.49
PAX8 Q06710 1/20 0.49
KLF5 Q13887 1/20 0.49
HIF1A Q16665 1/20 0.49
NFKB1 P19838 2/20 0.49
NFKB2 Q00653 2/20 0.49

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
SCHEMBL6691034 0.90 FDPS (0.58) ALDH1A1MAPTMEN1KMT2AFDPS
SCHEMBL5217355 0.87 TACR2 (0.54) ALDH1A1KMT2ASMN1; SMN2TACR2POLB
SCHEMBL23496311 0.86 ALDH1A1 (0.68) ALDH1A1MAPTMEN1KMT2AFDPS
SCHEMBL1353565 0.85 ALDH1A1 (0.64) ALDH1A1MAPTMEN1KMT2AFDPS
SCHEMBL6688720 0.85 ALDH1A1 (0.58) ALDH1A1MAPTMEN1KMT2AFDPS
SCHEMBL856364 0.84 RXRA (0.59) ALDH1A1MAPTMEN1KMT2APDCD1
SCHEMBL2202264 0.84 ESRRA (0.66) ALDH1A1MAPTMEN1KMT2AFDPS
SCHEMBL6230803 0.84 ALDH1A1 (0.57) ALDH1A1MAPTMEN1KMT2AFDPS
SCHEMBL12517074 0.83 ALDH1A1 (0.66) ALDH1A1MAPTMEN1KMT2AFDPS
SCHEMBL14554263 0.83 ALDH1A1 (0.66) ALDH1A1MAPTMEN1KMT2AFDPS

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 52 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4073048-A2 SMALL MOLECULE INHIBITORS OF FUNGAL HYPHAE AND BIOFILM FORMATION University of Sharjah (AE) 2022-10-19 EP disclosed
US-11292776-B2 Small molecule inhibitors of fungal hyphae and biofilm formation UNIVERSITY OF SHARJAH (AE) 2022-04-05 US disclosed
CN-109651365-B 3-methylpyrido [1,2-a ] pyrimidone derivative containing 1- ((4-substituted benzyl) oxy) and application thereof 贵州大学 2021-11-16 CN disclosed
US-20210179571-A1 Small Molecule Inhibitors of Fungal Hyphae and Biofilm Formation LUNDQUIST INSTITUTE FOR BIOMEDICAL INNOVATION AT HARBOR-UCLA MEDICAL CENTER 2021-06-17 US disclosed
WO-2021117014-A2 SMALL MOLECULE INHIBITORS OF FUNGAL HYPHAE AND BIOFILM FORMATION UNIVERSITY OF SHARJAH (AE) 2021-06-17 WO disclosed
US-20180111929-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2018-04-26 US disclosed
US-20180111929-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2018-04-26 US disclosed
US-20160176865-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2016-06-23 US disclosed
US-20160176865-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2016-06-23 US disclosed
US-20150290205-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2015-10-15 US disclosed
US-20100249118-A1 protein kinase modulators such as Propane-1-sulfonic acid [2,4-difluoro-3-(5-ethoxy-1H-pyrrolo[1,3-b]pyridine-3-carbonyl)-phenyl]-amide, used to regulate signal transduction cascades, involved in the control of physiological functions including cellular growth and proliferation; anticarcinogenic agents PLEXXIKON INC. 2010-09-30 US disclosed
US-20100249118-A1 protein kinase modulators such as Propane-1-sulfonic acid [2,4-difluoro-3-(5-ethoxy-1H-pyrrolo[1,3-b]pyridine-3-carbonyl)-phenyl]-amide, used to regulate signal transduction cascades, involved in the control of physiological functions including cellular growth and proliferation; anticarcinogenic agents PLEXXIKON INC. 2010-09-30 US disclosed
US-20080221148-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC 2008-09-11 US disclosed
US-20080221148-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC 2008-09-11 US disclosed
US-20080188514-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC 2008-08-07 US disclosed
US-20080188514-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC 2008-08-07 US disclosed
WO-2008080015-A2 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. (US) 2008-07-03 WO disclosed
WO-2008079909-A1 PYRROLO [2,3-B] PYRIDINES AS KINASE MODULATORS PLEXXIKON, INC. (US) 2008-07-03 WO disclosed
WO-2007002325-A1 PYRROLO[2,3-B] PYRIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS PLEXXIKON, INC. (US) 2007-01-04 WO disclosed
WO-2007002433-A1 PYRROLO [2, 3-B] PYRIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS PLEXXIKON, INC. (US) 2007-01-04 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 (8 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-20100249118-A1 protein kinase modulators such as Propane-1-sulfonic acid [2,4-difluoro-3-(5-ethoxy-1H-pyrrolo[1,3-b]pyridine-3-carbonyl)-phenyl]-amide, used to regulate signal transduction cascades, involved in the control of physiological functions including cellular growth and proliferation; anticarcinogenic agents MAP4K1, MAP4K2, MAP3K1 ALDH1A1 3144/4885MAPT 4171/4885MEN1 4089/4885
US-20180111929-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 ALDH1A1 4348/4885MAPT 2203/4885MEN1 1452/4885
US-20080188514-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 ALDH1A1 4348/4885MAPT 2203/4885MEN1 1452/4885
US-20150290205-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 ALDH1A1 4348/4885MAPT 2203/4885MEN1 1452/4885
US-20160176865-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 ALDH1A1 4348/4885MAPT 2203/4885MEN1 1452/4885
US-20080221148-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 ALDH1A1 4348/4885MAPT 2203/4885MEN1 1452/4885
US-20210179571-A1 Small Molecule Inhibitors of Fungal Hyphae and Biofilm Formation ERG28, DPM1, NACA ALDH1A1 4287/4885MAPT 554/4885MEN1 1286/4885
US-11292776-B2 Small molecule inhibitors of fungal hyphae and biofilm formation ERG28, DPM1, NACA ALDH1A1 4287/4885MAPT 554/4885MEN1 1286/4885

“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.