Sugi Predict

Sugi Predict / Compounds / SCHEMBL1245069

SCHEMBL1245069

SCHEMBL1245069

COc1cc(C)c(C)c(C)c1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 2/20 0.46
▸ CYP3A4 P08684 3/20 0.42
▸ MAPT P10636 2/20 0.41
▸ POLB P06746 2/20 0.41
▸ GFER P55789 2/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ HPGD P15428 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ TAAR1 Q96RJ0 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ CYP19A1 P11511 2/20 0.38
▸ NQO2 P16083 2/20 0.38
▸ TUBB1 Q9H4B7 2/20 0.38
▸ PDE3B Q13370 1/20 0.38
▸ PDE3A Q14432 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ NMT1 P30419 1/20 0.37
▸ RXFP1 Q9HBX9 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
SCHEMBL16071623 0.85 ACHE (0.52) ACHECYP3A4MAPTMEN1KMT2A
SCHEMBL10584398 0.84 ACHE (0.48) ACHECYP3A4MAPTPOLBGFER
SCHEMBL14458264 0.84 ACHE (0.54) ACHECYP3A4MAPTPOLBGFER
SCHEMBL12326178 0.81 ACHE (0.44) ACHECYP3A4MAPTPOLBGFER
SCHEMBL1635426 0.81 ACHE (0.50) ACHECYP3A4MAPTPOLBGFER
SCHEMBL29793476 0.81 ACHE (0.50) ACHECYP3A4MAPTPOLBGFER
SCHEMBL7935634 0.80 ACHE (0.31) ACHEMAPTPOLBKMT2AGAA
SCHEMBL7706095 0.79 ACHE (0.48) ACHECYP3A4MAPTPOLBGFER
Iodide SCHEMBL8935417 0.79 ACHE (0.48) ACHECYP3A4MAPTPOLBGFER
SCHEMBL12586888 0.79 ACHE (0.54) ACHECYP3A4MAPTPOLBGFER

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230340328-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2023-10-26 — — US disclosed
US-20170196862-A2 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-07-13 — — US disclosed
CN-102947305-B Compounds and methods for kinase modulation and indications therefor 普莱希科公司 2016-07-06 — — CN disclosed
CN-102762532-B The manufacture method of cyano group alkenyl cyclopropanecarboxylic acid salt SUMITOMO CHEMICAL CO.,LTD. (JP) 2015-07-29 — — CN disclosed
EP-1237897-B1 ANTITHROMBOTIC COMPOUND MERCK SHARP & DOHME (NL) 2015-01-14 — — EP disclosed
US-8865702-B2 B1-antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-10-21 — — US disclosed
WO-2014144737-A1 HETEROARYL COMPOUNDS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2014-09-18 — — WO disclosed
CN-102365264-B Process for producing 3-(2-cyano-1-propenyl)-2,2- dimethylcyclopropanecarboxylic acid or salt thereof SUMITOMO CHEMICAL CO 2014-05-21 — — CN disclosed
EP-1467958-B1 PROCESS FOR PREPARING 3,3',5,5',6,6'-HEXAALKYL-2,2'-BIPHENOLS, 3,3',4,4',5,5'-HEXAALKYL-2,2'-BIPHENOLS AND 3,3',4,4',5,5',6,6'-OCTAALKYL-2,2'-BIPHENOLS INVISTA TECH SARL (CH) 2014-01-08 — — EP disclosed
EP-2061779-B1 ARYL SULFONAMIDES WITH AN ANALGESIC ACTION BOEHRINGER INGELHEIM INT (DE) 2013-11-06 — — EP disclosed
US-20070270422-A1 Aromatic Compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-11-22 — — US disclosed
US-20070270422-A1 Aromatic Compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-11-22 — — US disclosed
WO-2007066784-A2 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-06-14 — — WO disclosed
US-7230020-B2 11β-hydroxysteroid dehydrogenase inhibitors STERIX LIMITED (GB) 2007-06-12 — — US disclosed
US-7230020-B2 11β-hydroxysteroid dehydrogenase inhibitors STERIX LIMITED (GB) 2007-06-12 — — US disclosed
WO-2007038215-A1 TETRACYCLIC INHIBITORS OF JANUS KINASES INCYTE CORPORATION (US) 2007-04-05 — — WO disclosed
WO-2006097293-A2 COMBINATION OF A STEROID SULFATASE INHIBITOR AND AN ASCOMYCIN NOVARTIS AG (CH) 2006-09-21 — — WO disclosed
EP-1467958-A1 PROCESS FOR PREPARING 3,3',5,5',6,6'-HEXAALKYL-2,2'-BIPHENOLS, 3,3',4,4',5,5'-HEXAALKYL-2,2'-BIPHENOLS AND 3,3',4,4',5,5',6,6'-OCTAALKYL-2,2'-BIPHENOLS E.I. DU PONT DE NEMOURS AND COMPANY (US) 2004-10-20 — — EP disclosed
WO-2003045883-A1 PROCESS FOR PREPARING 3,3',5,5',6,6'-HEXAALKYL-2,2'-BIPHENOLS, 3,3',4,4',5,5'-HEXAALKYL-2,2'-BIPHENOLS AND 3,3',4,4',5,5',6,6'-OCTAALKYL-2,2'-BIPHENOLS E.I. DU PONT DE NEMOURS AND COMPANY (US) 2003-06-05 — — WO disclosed
US-20030100802-A1 Process for preparing 3,3',5,5',6,6'-hexaalkyl-2,2'-biphenols,3,3',4,4',5,5'-hexaalkyl-2,2'-biphenols and 3,3',4,4',5,5',6,6'-octaalkyl-2,2'-biphenols SHAPIRO RAFAEL (US) 2003-05-29 — — 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 (3 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-20030100802-A1 Process for preparing 3,3',5,5',6,6'-hexaalkyl-2,2'-biphenols,3,3',4,4',5,5'-hexaalkyl-2,2'-biphenols and 3,3',4,4',5,5',6,6'-octaalkyl-2,2'-biphenols CYP4B1, UGT1A4, CYP4X1 ACHE 752/4885CYP3A4 17/4885MAPT 4804/4885
US-20070270422-A1 Aromatic Compounds COL1A1, COL2A1, COL14A1 ACHE 2757/4885CYP3A4 236/4885MAPT 4163/4885
US-20170196862-A2 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1B, SLC26A4 ACHE 4738/4885CYP3A4 3432/4885MAPT 4883/4885

“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.