SCHEMBL338466

SCHEMBL338466

[CH]c1ccccc1OC(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 2/20 0.47
CYP1A2 P05177 1/20 0.46
MAPT P10636 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
ALDH1A1 P00352 2/20 0.44
ACHE P22303 1/20 0.44
NISCH Q9Y2I1 2/20 0.40
ADRA2A P08913 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
TLR8 Q9NR97 1/20 0.39
MCHR1 Q99705 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
KDM4E B2RXH2 2/20 0.38
LMNA P02545 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA7 P43166 2/20 0.37

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
SCHEMBL338467 1.00 IRAK4 (0.47) IRAK4CYP1A2MAPTCYP2C9CYP2C19
SCHEMBL11382835 0.82 CA1 (0.39) IRAK4CYP1A2MAPTCYP2C9CYP2C19
SCHEMBL2069775 0.82 ALDH1A1 (0.57) IRAK4CYP1A2MAPTCYP2C9CYP2C19
SCHEMBL29591819 0.82 ALDH1A1 (0.57) IRAK4CYP1A2MAPTCYP2C9CYP2C19
SCHEMBL5803755 0.76 DRD1 (0.42) MAPTALDH1A1KDM4EPOLBKMT2A
SCHEMBL31634047 0.75 IRAK4 (0.50) IRAK4CYP1A2MAPTCYP2C9CYP2C19
SCHEMBL3632568 0.75 IRAK4 (0.50) IRAK4CYP1A2MAPTCYP2C9CYP2C19
SCHEMBL28851801 0.75 ALDH1A1 (0.52) IRAK4CYP1A2MAPTCYP2C9CYP2C19
SCHEMBL677274 0.74 MCHR1 (0.46) IRAK4CYP1A2MAPTCYP2C9CYP2C19
SCHEMBL339091 0.74 ACLY (0.40) IRAK4CYP1A2MAPTCYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240229300-A9 POLYMER FIBERS AND PARTICLES PRODUCED BY ELECTROSPINNING OR ELECTROSPRAYING SCALE HOLDINGS LLC 2024-07-11 US disclosed
US-20240133079-A1 POLYMER FIBERS AND PARTICLES PRODUCED BY ELECTROSPINNING OR ELECTROSPRAYING SCALE HOLDINGS LLC (US) 2024-04-25 US disclosed
WO-2024086429-A1 POLYMER FIBERS AND PARTICLES PRODUCED BY ELECTROSPINNING OR ELECTROSPRAYING SCALE HOLDINGS LLC (US) 2024-04-25 WO disclosed
US-11821112-B1 Polymer fibers and particles produced by electrospinning or electrospraying SCALE HOLDINGS LLC (US) 2023-11-21 US disclosed
US-10329245-B2 Method for making a prenyl group-substituted tyrosine compound KING FAHD UNIVERSITY OF PETROLEUM AND MINERALS (SA) 2019-06-25 US disclosed
US-20180208546-A1 METHOD FOR MAKING A PRENYL GROUP-SUBSTITUTED TYROSINE COMPOUND KING FAHD UNIVERSITY OF PETROLEUM AND MINERALS (SA) 2018-07-26 US disclosed
US-10023527-B2 Uncatalyzed sigmatropic rearrangement of tyrosine-based compounds KING FAHD UNIVERSITY OF PETROLEUM AND MINERALS (SA) 2018-07-17 US disclosed
EP-1905777-B2 RUTHENIUM COMPLEX LIGAND, RUTHENIUM COMPLEX, CARRIED RUTHENIUM COMPLEX CATALYST AND THE PREPARING METHODS AND THE USE THEREOF ZANNAN SCITECH CO LTD (CN) 2018-06-27 EP disclosed
US-20170217877-A1 UNCATALYZED SIGMATROPIC REARRANGEMENT OF TYROSINE-BASED COMPOUNDS KING FAHD UNIVERSITY OF PETROLEUM AND MINERALS (SA) 2017-08-03 US disclosed
US-9688611-B2 Synthesis of (S)-2-acetamido-3-(4-hydroxy-3-(3-methylbut-2-enyl) phenyl) propanoic acid derivatives KING FAHD UNIVERSITY OF PETROLEUM AND MINERALS (SA) 2017-06-27 US disclosed
US-20080139861-A1 Metathesis catalysts ARLANXEO DEUTSCHLAND GMBH (DE) 2008-06-12 US disclosed
US-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis OTSUKA PHAMACEUTICAL CO., LTD. (JP) 2008-05-22 US disclosed
EP-1905777-A1 RUTHENIUM COMPLEX LIGAND, RUTHENIUM COMPLEX, CARRIED RUTHENIUM COMPLEX CATALYST AND THE PREPARING METHODS AND THE USE THEREOF Zhan, Zheng-Yun (CN) 2008-04-02 EP disclosed
WO-2007054483-A1 PREPARATION OF CATALYSTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-18 WO disclosed
US-20070043180-A1 Recyclable ruthenium catalysts for metathesis reactions ZHENG-YUN JAMES ZHAN (CN) 2007-02-22 US disclosed
EP-1678185-A1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-07-12 EP disclosed
WO-2005042542-A1 2,3-DIHYDRO-6-NITROIMIDAZO (2,1-B) OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-05-12 WO disclosed
US-20040176608-A1 Novel transition-metal complexes and use thereof in transition-metal catalyzed reactions BAYER CHEMICALS AG (DE) 2004-09-09 US disclosed
US-20040087438-A1 Metathesis catalysts ARLANXEO DEUTSCHLAND GMBH (DE) 2004-05-06 US disclosed
US-20030220512-A1 Novel transition metal complexes and their use in transition metal-catalysed reactions BAYER AKTIENGESELLSCHAFT (DE) 2003-11-27 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 (9 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-20180208546-A1 METHOD FOR MAKING A PRENYL GROUP-SUBSTITUTED TYROSINE COMPOUND BAX, CD40, CASP3 IRAK4 1062/4885CYP1A2 856/4885MAPT 144/4885
US-20040176608-A1 Novel transition-metal complexes and use thereof in transition-metal catalyzed reactions AP1M1, SOD1, INTS9 IRAK4 3698/4885CYP1A2 133/4885MAPT 2516/4885
US-20080139861-A1 Metathesis catalysts PPOX, PIN4, ICMT IRAK4 4467/4885CYP1A2 259/4885MAPT 837/4885
US-20030220512-A1 Novel transition metal complexes and their use in transition metal-catalysed reactions AP1M1, AP3M1, CYC1 IRAK4 4025/4885CYP1A2 93/4885MAPT 2485/4885
US-20170217877-A1 UNCATALYZED SIGMATROPIC REARRANGEMENT OF TYROSINE-BASED COMPOUNDS BAX, CD40, CASP3 IRAK4 1587/4885CYP1A2 810/4885MAPT 100/4885
US-10329245-B2 Method for making a prenyl group-substituted tyrosine compound BAX, CD40, CASP3 IRAK4 1062/4885CYP1A2 856/4885MAPT 144/4885
US-10023527-B2 Uncatalyzed sigmatropic rearrangement of tyrosine-based compounds BAX, CD40, CASP3 IRAK4 1587/4885CYP1A2 810/4885MAPT 100/4885
US-20070043180-A1 Recyclable ruthenium catalysts for metathesis reactions RPIA, REV1, RCSD1 IRAK4 1573/4885CYP1A2 486/4885MAPT 2838/4885
US-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis NR2C2, NR0B2, NR4A2 IRAK4 735/4885CYP1A2 420/4885MAPT 4299/4885

“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.