SCHEMBL2194685

SCHEMBL2194685

CC(Br)(C(=O)O)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.35
CYP2C9 P11712 1/20 0.35
LMNA P02545 1/20 0.35
GRM2 Q14416 2/20 0.35
GRM3 Q14832 1/20 0.35
EPHX1 P07099 1/20 0.34
EPHX2 P34913 1/20 0.34
CYP17A1 P05093 1/20 0.34
CYP19A1 P11511 1/20 0.34
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
FAAH O00519 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL4990698 0.78 THRB (0.38) THRBCYP2C9LMNAEPHX1EPHX2
SCHEMBL2190387 0.75 THRB (0.35) THRBCYP2C9LMNAGRM2GRM3
SCHEMBL10976047 0.75 THRB (0.39) THRBCYP2C9LMNAGRM2GRM3
SCHEMBL9724273 0.75 THRB (0.39) THRBCYP2C9LMNAGRM2GRM3
SCHEMBL2196307 0.75 GRM2 (0.36) GRM2GRM3EPHX2ALDH1A1MEN1
Acetic Acid SCHEMBL700515 0.74 THRB (0.42) THRBCYP2C9LMNAEPHX1EPHX2
SCHEMBL6865794 0.73 THRB (0.40) THRBCYP2C9GRM2GRM3EPHX1
SCHEMBL27694057 0.72 GRIN2D (0.30)
Adamantane SCHEMBL28647589 0.72 GRM2 (0.41) LMNAGRM2GRM3EPHX1EPHX2
Carbamic Acid SCHEMBL27703081 0.71 THRB (0.39) THRBCYP2C9LMNAGRM2GRM3

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9522868-B2 Tetrakis(ether-substituted formylphenyl) HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2016-12-20 US disclosed
US-20160016884-A1 NEW TETRAKIS(ETHER-SUBSTITUTED FORMYLPHENYL) HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2016-01-21 US disclosed
US-20110172457-A1 TETRAKIS(ETHER-SUBSTITUTED FORMYLPHENYL) AND NEW POLYNUCLEAR POLYPHENOL DERIVED FROM THE SAME HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2011-07-14 US disclosed
US-7833693-B2 Iodonium or sulfonium di-(tetrafluoroethyl sulfonate) ether acid generators; imaging negative and positive patterns in semiconductors and photoresists; microlithography; high photosensitivity AZ ELECTRONIC MATERIALS USA CORP. 2010-11-16 US disclosed
US-7678528-B2 Photoactive compounds AZ ELECTRONIC MATERIALS USA CORP. (US) 2010-03-16 US disclosed
US-7521170-B2 Photoactive compounds AZ ELECTRONIC MATERIALS USA CORP. (US) 2009-04-21 US disclosed
US-20090087782-A1 Iodonium or sulfonium di-(tetrafluoroethyl sulfonate) ether acid generators; imaging negative and positive patterns in semiconductors and photoresists; microlithography; high photosensitivity MERCK PATENT GMBH (DE) 2009-04-02 US disclosed
US-20090068586-A1 SILSESQUIOXANE RESIN, POSITIVE RESIST COMPOSITION, RESIST LAMINATE, AND METHOD OF FORMING RESIST PATTERN TOKYO OHKA KOGYO CO., LTD. (JP) 2009-03-12 US disclosed
EP-1963919-A2 PHOTOACTIVE COMPOUNDS AZ Electronic Materials USA Corp. (US) 2008-09-03 EP disclosed
EP-1915360-A2 PHOTOACTIVE COMPOUNDS AZ Electronic Materials USA Corp. (US) 2008-04-30 EP disclosed
WO-2007057773-A2 PHOTOACTIVE COMPOUNDS AZ ELECTRONIC MATERIALS USA CORP. (DE) 2007-05-24 WO disclosed
US-20070111138-A1 Photoactive compounds MERCK PATENT GMBH (DE) 2007-05-17 US disclosed
WO-2007007175-A2 PHOTOACTIVE COMPOUNDS AZ ELECTRONIC MATERIAL USA CORP. (DE) 2007-01-18 WO disclosed
US-20070015084-A1 Iodonium or sulfonium di-(tetrafluoroethyl sulfonate) ether acid generators; imaging negative and positive patterns in semiconductors and photoresists; microlithography; high photosensitivity MERCK PATENT GMBH (DE) 2007-01-18 US disclosed
US-20060222866-A1 Silsesquioxane resin, positive resist composition,layered product including resist and method of forming resist pattern TOKYO OHKA KOGYO CO., LTD. (JP) 2006-10-05 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 (2 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-20160016884-A1 NEW TETRAKIS(ETHER-SUBSTITUTED FORMYLPHENYL) AHR, PAH, ALK THRB 524/4885CYP2C9 137/4885LMNA 3411/4885
US-20110172457-A1 TETRAKIS(ETHER-SUBSTITUTED FORMYLPHENYL) AND NEW POLYNUCLEAR POLYPHENOL DERIVED FROM THE SAME AHR, PAH, ARNT THRB 2189/4885CYP2C9 1163/4885LMNA 3268/4885

“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.