SCHEMBL1754083

SCHEMBL1754083

COc1cc(C(C)(C)C)cc(OC)c1OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.54
MAPT P10636 2/20 0.52
CYP3A4 P08684 1/20 0.52
CA9 Q16790 1/20 0.52
PTGS2 P35354 1/20 0.48
TP53 P04637 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
HTR2B P41595 1/20 0.43
CYP1A1 P04798 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP1B1 Q16678 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
GAK O14976 1/20 0.42
RIPK2 O43353 1/20 0.42
COQ8A Q8NI60 1/20 0.42

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
SCHEMBL12024914 0.89 ACHE (0.48) ACHEMAPTCYP3A4CA9PTGS2
SCHEMBL19351217 0.89 ACHE (0.43) ACHEMAPTCYP3A4CA9PTGS2
SCHEMBL10019863 0.87 CYP3A4 (0.42) ACHEMAPTCYP3A4CA9PTGS2
SCHEMBL8254130 0.85 TSHR (0.47) ACHEMAPTCYP3A4CA9PTGS2
SCHEMBL7833966 0.85 ALDH1A1 (0.45) ACHEMAPTCYP3A4CA9PTGS2
SCHEMBL7843399 0.85 TPMT (0.50) ACHEMAPTCYP3A4CA9TP53
SCHEMBL26546786 0.84 PDE4A (0.41) ACHEMAPTCYP3A4CA9PTGS2
SCHEMBL15249007 0.82 PTGS2 (0.47) ACHEMAPTCYP3A4CA9PTGS2
SCHEMBL12809228 0.82 ACHE (0.38) ACHEMAPTCYP3A4CA9PTGS2
SCHEMBL19341804 0.82 ACHE (0.42) ACHEMAPTCYP3A4CA9PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230332243-A1 PATIENT SELECTION BIOMARKERS FOR TREATMENT WITH ULK INHIBITORS SALK INSTITUTE FOR BIOLOGICAL STUDIES 2023-10-19 US disclosed
US-11760715-B2 Modulators of lipoxygenase and cyclooxygenase enzyme activity UNIVERSITÉ DE MONCTON (CA) 2023-09-19 US disclosed
US-20230219942-A1 COMPOUNDS COMPRISING A THREE RING CORE AS PD-1/PD-L1 BLOCKERS RELIVE THERAPEUTICS INC. (CA) 2023-07-13 US disclosed
US-20230130766-A1 MONO AND COMBINATION THERAPIES WITH ULK1/2 INHIBITORS SALK INSTITUTE FOR BIOLOGICAL STUDIES 2023-04-27 US disclosed
US-20230047816-A1 PFKFB3 INHIBITORS AND THEIR USES GERO PTE. LTD. (SG) 2023-02-16 US disclosed
US-20230025301-A1 Novel Heterocyclic Derivatives with Cardiomyocyte Proliferation Activity for Treatment of Heart Diseases TONGJI UNIVERSITY (CN) 2023-01-26 US disclosed
US-20230020507-A1 COMPOUND AND USE THEREOF IN TREATING AUTOIMMUNE DISEASES PARENCHYMA BIOTECH INC. (KR) 2023-01-19 US disclosed
WO-2022119928-A1 IMIDAZOLE COMPOUNDS AS INHIBITORS OF ENPP1 Stingray Therapeutics, Inc. (US) 2022-06-09 WO disclosed
US-11351168-B1 2,4-disubstituted pyrimidines useful as kinase inhibitors CELGENE CAR LLC (BM) 2022-06-07 US disclosed
US-11332471-B2 Leveling agent, metal plating composition containing same, preparation method therefor and use thereof SHANGHAI SINYANG SEMICONDUCTOR MATERIALS CO., LTD. (CN) 2022-05-17 US disclosed
US-7282608-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2007-10-16 US disclosed
US-7279469-B2 Diaminotriazoles useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-10-09 US disclosed
US-20070213330-A1 Anticancer agents; antiproliferative agents METHYLGENE INC. (CA) 2007-09-13 US disclosed
US-7253204-B2 Antiproliferative agents METHYLGENE INC. (CA) 2007-08-07 US disclosed
WO-2007073383-A1 NOVEL COMPOUNDS AND METHODS FOR FORMING TAXANES AND USING THE SAME TAPESTRY PHARMACEUTICALS, INC. (US) 2007-06-28 WO disclosed
US-7230132-B2 Aryl N-cyanoguanidines and methods related thereto MIGENIX CORP. (US) 2007-06-12 US disclosed
US-7217712-B2 4-Substituted-5-cyano-1H-pyrimidin-6-(thi)ones as GSK-3 inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-05-15 US disclosed
US-20070027321-A1 Bipyridyl amines and ethers as modulators of metabotropic glutamate receptor-5 MERCK SHARP & DOHME CORP. 2007-02-01 US disclosed
US-20070027321-A1 Bipyridyl amines and ethers as modulators of metabotropic glutamate receptor-5 MERCK SHARP & DOHME CORP. 2007-02-01 US disclosed
US-20040082578-A1 Arylindenopyridines and related therapeutic and prophylactic methods ORTHO-MCNEIL PHARMACEUTICAL, INC. 2004-04-29 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 (12 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-20230025301-A1 Novel Heterocyclic Derivatives with Cardiomyocyte Proliferation Activity for Treatment of Heart Diseases TNNI3, TNNT2, MKI67 ACHE 4394/4885MAPT 4785/4885CYP3A4 2277/4885
US-11760715-B2 Modulators of lipoxygenase and cyclooxygenase enzyme activity ALOX12, ALOX15B, ALOX5 ACHE 724/4885MAPT 4792/4885CYP3A4 410/4885
US-20040082578-A1 Arylindenopyridines and related therapeutic and prophylactic methods ADORA2A, ADORA1, PDE2A ACHE 398/4885MAPT 4577/4885CYP3A4 1127/4885
US-20230047816-A1 PFKFB3 INHIBITORS AND THEIR USES PFKFB3, PFKFB4, PFKFB1 ACHE 3309/4885MAPT 845/4885CYP3A4 2539/4885
US-20070213330-A1 Anticancer agents; antiproliferative agents HDAC1, HDAC11, HDAC5 ACHE 3428/4885MAPT 3612/4885CYP3A4 4595/4885
US-20230130766-A1 MONO AND COMBINATION THERAPIES WITH ULK1/2 INHIBITORS ULK1, ULK2, ULK3 ACHE 4884/4885MAPT 912/4885CYP3A4 4282/4885
US-11351168-B1 2,4-disubstituted pyrimidines useful as kinase inhibitors DCK, CDK2, DTYMK ACHE 4707/4885MAPT 3269/4885CYP3A4 2948/4885
US-20230332243-A1 PATIENT SELECTION BIOMARKERS FOR TREATMENT WITH ULK INHIBITORS ULK2, ULK1, ULK3 ACHE 4874/4885MAPT 2110/4885CYP3A4 3787/4885
US-11332471-B2 Leveling agent, metal plating composition containing same, preparation method therefor and use thereof PRPF8, CACNA1F, ATP1B2 ACHE 2954/4885MAPT 2766/4885CYP3A4 4374/4885
US-20070027321-A1 Bipyridyl amines and ethers as modulators of metabotropic glutamate receptor-5 GRM5, GRIK5, GRM1 ACHE 2837/4885MAPT 448/4885CYP3A4 1798/4885
US-20230219942-A1 COMPOUNDS COMPRISING A THREE RING CORE AS PD-1/PD-L1 BLOCKERS CD274, PDCD1, PDCD1LG2 ACHE 4390/4885MAPT 1976/4885CYP3A4 1942/4885
US-20230020507-A1 COMPOUND AND USE THEREOF IN TREATING AUTOIMMUNE DISEASES VIP, BACH1, IL17A ACHE 1526/4885MAPT 3697/4885CYP3A4 4341/4885

“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.