SCHEMBL7903433

SCHEMBL7903433

CCOc1cc(C)ccc1OC

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.68
MAPT P10636 7/20 0.52
KDM4E B2RXH2 2/20 0.52
GAA P10253 1/20 0.52
L3MBTL1 Q9Y468 6/20 0.51
PDE4A P27815 6/20 0.51
PDE4B Q07343 6/20 0.51
PDE4C Q08493 6/20 0.51
PDE4D Q08499 6/20 0.51
HPGD P15428 4/20 0.51
ALDH1A1 P00352 3/20 0.51
RAB9A P51151 3/20 0.51
MAPK1 P28482 2/20 0.51
NPSR1 Q6W5P4 2/20 0.51
POLB P06746 2/20 0.51
MEN1 O00255 1/20 0.51
USP2 O75604 1/20 0.51
CYP2C9 P11712 1/20 0.51
ALOX12 P18054 1/20 0.51
CYP2C19 P33261 1/20 0.51

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
SCHEMBL7634998 0.92 ACHE (0.68) ACHEMAPTKDM4EGAAL3MBTL1
SCHEMBL805356 0.89 MAPT (0.61) ACHEMAPTKDM4EGAAL3MBTL1
SCHEMBL11963234 0.84 ACHE (0.63) ACHEMAPTKDM4EGAAL3MBTL1
SCHEMBL11963361 0.82 ACHE (0.61) ACHEMAPTKDM4EL3MBTL1PDE4B
SCHEMBL29403877 0.82 ACHE (1.00) ACHEMAPTKDM4EGAAL3MBTL1
SCHEMBL12518 0.82 ACHE (1.00) ACHEMAPTKDM4EGAAL3MBTL1
SCHEMBL12408754 0.82 ACHE (0.65) ACHEMAPTKDM4EGAAL3MBTL1
SCHEMBL11354738 0.81 ALDH1A1 (0.75) ACHEMAPTKDM4EGAAL3MBTL1
SCHEMBL16502112 0.80 MAPT (0.61) MAPTKDM4EGAAL3MBTL1HPGD
SCHEMBL12781858 0.80 ACHE (0.63) ACHEMAPTKDM4EGAAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021139651-A1 BIOMASS INTRINSIC FLAME-RETARDANT HIGH-TEMPERATURE-RESISTANT EPOXY RESIN AND PREPARATION METHOD THEREFOR 厦门大学 2021-07-15 WO disclosed
US-9944599-B2 Processes for the preparation of beta-aminosulfone compounds LEK PHARMACEUTICALS (SI) 2018-04-17 US disclosed
EP-3252050-A1 PHTHALAZINONES AND ISOQUINOLINONES AS ROCK INHIBITORS Bristol-Myers Squibb Company (US) 2017-12-06 EP disclosed
EP-3252049-A1 PHTHALAZINONES AND ISOQUINOLINONES AS ROCK INHIBITORS Bristol-Myers Squibb Company (US) 2017-12-06 EP disclosed
US-20170174627-A1 Processes For The Preparation Of Beta-Aminosulfone Compounds LEK PHARMACEUTICALS D.D. (SI) 2017-06-22 US disclosed
WO-2017094031-A2 NOVEL PROCESS FOR PREPARATION OF APREMILAST SUN PHARMACEUTICAL INDUSTRIES LIMITED (IN) 2017-06-08 WO disclosed
US-20170145011-A1 Pyrrolopyrazine-Spirocyclic piperidine amides as modulators of ion channels VERTEX PHARMA (US) 2017-05-25 US disclosed
US-9511067-B2 Substituted spiro[piperidine-4,1'-pyrrolo[1,2-a]pyrazine]s as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-12-06 US disclosed
EP-2595989-B1 HETEROCYCLIC CHROMENE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMA (US) 2016-07-13 EP disclosed
US-9365588-B2 Benzoxazines as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-06-14 US disclosed
US-7342115-B2 Binding antagonist and arylpyridine for antiinflammatory agents, cardiovascular disorders and antagonist or agonist and for immunology NEUROGEN CORPORATION (US) 2008-03-11 US disclosed
US-20080015199-A1 Triazolone derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-01-17 US disclosed
US-20070238758-A1 Agent for inhibition of cytokine production and agent for inhibition of cell adhesion OTSUKA PHARMACEUTICAL CO., LTD. 2007-10-11 US disclosed
US-7279469-B2 Diaminotriazoles useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-10-09 US disclosed
WO-2007103554-A1 QUINOLINE AND ISOQUINOLINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2007-09-13 WO disclosed
WO-2007098214-A1 CINNOLINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2007-08-30 WO disclosed
US-7241780-B2 Substituted acid derivatives useful as antidiabetic and antiobesity agents and method BRISTOLS-MYERS SQUIBB COMPANY (US) 2007-07-10 US disclosed
US-20070105911-A1 Agent for inhibition of cytokine production and agent for inhibition of cell adhesion CHIHIRO MASATOSHI 2007-05-10 US disclosed
US-20070015797-A1 Substituted acid derivatives useful as antidiabetic and antiobesity agents and method CHENG PETER T 2007-01-18 US disclosed
US-3950236-A OXIDATION, ALKYL-ALKOXY-BIBENZYL COMPOUNDS THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF HEALTH, EDUCATION AND WELFARE (US) 1976-04-13 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 (6 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-20170145011-A1 Pyrrolopyrazine-Spirocyclic piperidine amides as modulators of ion channels KCNJ2, KCNJ5, KCNJ1 ACHE 1784/4885MAPT 2311/4885KDM4E 2838/4885
US-20070238758-A1 Agent for inhibition of cytokine production and agent for inhibition of cell adhesion IL2, IL1RN, SELL ACHE 4454/4885MAPT 4492/4885KDM4E 3406/4885
US-20170174627-A1 Processes For The Preparation Of Beta-Aminosulfone Compounds TPMT, MPST, CBS ACHE 555/4885MAPT 1457/4885KDM4E 1831/4885
US-20070105911-A1 Agent for inhibition of cytokine production and agent for inhibition of cell adhesion IL2, IL1RN, SELL ACHE 4462/4885MAPT 4491/4885KDM4E 3397/4885
US-20070015797-A1 Substituted acid derivatives useful as antidiabetic and antiobesity agents and method GPR119, LIPC, ACACA ACHE 3502/4885MAPT 4848/4885KDM4E 2164/4885
US-20080015199-A1 Triazolone derivatives F3, F12, F2 ACHE 4696/4885MAPT 3959/4885KDM4E 3720/4885

“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.