SCHEMBL12009

SCHEMBL12009

Cc1ccc(OC(C)C)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 7/20 0.41
ACHE P22303 1/20 0.40
KCNQ3 O43525 1/20 0.40
KCNQ2 O43526 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.38
IDO1 P14902 1/20 0.38
TDO2 P48775 1/20 0.38
CSNK2A1 P68400 2/20 0.37
TRPV3 Q8NET8 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP3A4 P08684 1/20 0.36
FFAR1 O14842 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
NAAA Q02083 1/20 0.36
DHODH Q02127 1/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL17936597 0.86 ACHE (0.39) P2RX3ACHEMRGPRX4ALDH1A1CYP3A4
SCHEMBL12648042 0.85 NAAA (0.43) P2RX3KCNQ3KCNQ2TRPV3ALDH1A1
SCHEMBL20128041 0.84 MRGPRX4 (0.39) ACHEMRGPRX4ALDH1A1CYP3A4MEN1
SCHEMBL879131 0.83 ACHE (0.40) P2RX3ACHEIDO1TDO2CSNK2A1
SCHEMBL10052629 0.83 ALDH1A1 (0.49) ACHEMRGPRX4ALDH1A1CYP3A4MEN1
SCHEMBL171317 0.81 MRGPRX4 (0.38) P2RX3ACHEMRGPRX4DHODH
SCHEMBL5745812 0.81 MEN1 (0.50) P2RX3KCNQ3KCNQ2CSNK2A1TRPV3
SCHEMBL12313570 0.80 ACHE (0.50) ACHEIDO1TDO2CSNK2A1ALDH1A1
SCHEMBL15672721 0.80 MRGPRX4 (0.40) P2RX3ACHEMRGPRX4TRPV3ALDH1A1
SCHEMBL15672725 0.80 MRGPRX4 (0.40) P2RX3ACHEMRGPRX4TRPV3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11858907-B2 Kinase modulators RHIZEN PHARMACEUTICALS AG (CH) 2024-01-02 US disclosed
US-11858907-B2 Kinase modulators RHIZEN PHARMACEUTICALS AG (CH) 2024-01-02 US disclosed
EP-3642209-B1 COMPOUNDS THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE SHY Therapeutics LLC (US) 2023-11-29 EP disclosed
US-20230303570-A1 KINASE INHIBITORS AND USES THEREOF ABM THERAPEUTICS CORP (US) 2023-09-28 US disclosed
US-11760775-B2 Steroids and protein-conjugates thereof REGENERON PHARMACEUTICALS, INC. 2023-09-19 US disclosed
US-11759462-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors ALTAVANT SCIENCES GMBH 2023-09-19 US disclosed
US-20230219927-A1 AKT3 MODULATORS Georgiamune Inc. 2023-07-13 US disclosed
US-20230183226-A1 AKT3 MODULATORS Georgiamune Inc. 2023-06-15 US disclosed
US-20230174556-A1 COMPOUNDS AS PROTEIN KINASE INHIBITORS FOCHON BIOSCIENCES, LTD. (CN) 2023-06-08 US disclosed
US-20230174556-A1 COMPOUNDS AS PROTEIN KINASE INHIBITORS FOCHON BIOSCIENCES, LTD. (CN) 2023-06-08 US disclosed
US-20090075995-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY 2009-03-19 US disclosed
US-20090062261-A1 NITROGEN-CONTAINING HETEROCYCLE DERIVATIVES SUBSTITUTED WITH CYCLIC GROUP SHIONOGI & CO., LTD. (JP) 2009-03-05 US disclosed
US-20090042954-A1 2-(Aryl)Azacyclylmethyl Carboxylates, Sulfonates, Phosphonates, Phosphinates and Heterocycles as S1p Receptor Antagonists MERCK SHARP & DOHME CORP. 2009-02-12 US disclosed
US-7335770-B2 Triazine compounds and their analogs, compositions, and methods REDDY U5 THERAPEUTICS, INC. (US) 2008-02-26 US disclosed
US-7335656-B2 Stent with a disposed traiazine compound such as 6-(3-Chloro-4-methoxy-phenoxy)-N-cycloheptyl-N'-methyl-N'-(1-methyl-piperidin-4-yl)-[1,3,5]triazine-2,4-diamine for inhibiting smooth muscle proliferation; restenosis and atherosclerosis REDDY US THERAPEUTICS, INC. (US) 2008-02-26 US disclosed
WO-2008021926-A2 MODULATORS OF GLUCOCORTICOID RECEPTOR, AND/OR AP-1, AND/OR NF-KB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2008-02-21 WO disclosed
US-7332489-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2008-02-19 US disclosed
US-7332490-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2008-02-19 US disclosed
US-20070099874-A1 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2007-05-03 US disclosed
US-7169785-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2007-01-30 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 (11 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-20230303570-A1 KINASE INHIBITORS AND USES THEREOF ERBB2, ERBB3, ERBB4 P2RX3 1004/4885ACHE 2653/4885KCNQ3 4115/4885
US-20230183226-A1 AKT3 MODULATORS AKT3, AKT2, MTOR P2RX3 2366/4885ACHE 4655/4885KCNQ3 4265/4885
US-20070099874-A1 Methods and compositions of novel triazine compounds AREG, TGFB1, PTGIS P2RX3 2424/4885ACHE 4413/4885KCNQ3 4844/4885
US-20090062261-A1 NITROGEN-CONTAINING HETEROCYCLE DERIVATIVES SUBSTITUTED WITH CYCLIC GROUP NR4A1, NR0B2, NR0B1 P2RX3 556/4885ACHE 2160/4885KCNQ3 1677/4885
US-20230219927-A1 AKT3 MODULATORS AKT3, AKT2, PIK3CA P2RX3 2096/4885ACHE 4354/4885KCNQ3 4036/4885
US-11759462-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A P2RX3 1431/4885ACHE 3515/4885KCNQ3 3621/4885
US-20090075995-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF NFKB2, NFRKB, NFKB1 P2RX3 3288/4885ACHE 4675/4885KCNQ3 1617/4885
US-11858907-B2 Kinase modulators RPS6KA1, RPS6KA2, PRKAR2A P2RX3 1735/4885ACHE 3993/4885KCNQ3 3872/4885
US-20230174556-A1 COMPOUNDS AS PROTEIN KINASE INHIBITORS PIK3CA, AKT1, PIK3CB P2RX3 2667/4885ACHE 3274/4885KCNQ3 4098/4885
US-20090042954-A1 2-(Aryl)Azacyclylmethyl Carboxylates, Sulfonates, Phosphonates, Phosphinates and Heterocycles as S1p Receptor Antagonists S1PR1, S1PR3, S1PR5 P2RX3 235/4885ACHE 4190/4885KCNQ3 3631/4885
US-11760775-B2 Steroids and protein-conjugates thereof SERPINA6, NR3C1, NR3C2 P2RX3 4834/4885ACHE 4853/4885KCNQ3 4858/4885

“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.