SCHEMBL2196303

SCHEMBL2196303

CCC(Br)(C(=O)O)C1C2CC3CC(C2)CC1C3

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.36
GRM2 Q14416 1/20 0.36
GRM3 Q14832 1/20 0.36
EPHX2 P34913 8/20 0.35
EPHX1 P07099 1/20 0.32

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
SCHEMBL2194681 0.75 EPHX2 (0.39) HSD11B1L3MBTL1GRM2EPHX2EPHX1
Adamantane SCHEMBL28647589 0.68 GRM2 (0.41) HSD11B1GRM2GRM3EPHX2EPHX1
SCHEMBL6346244 0.67 CYP2C9 (0.36) HSD11B1L3MBTL1EPHX2EPHX1
SCHEMBL2190383 0.67 EPHX2 (0.39) HSD11B1L3MBTL1GRM2EPHX2EPHX1
SCHEMBL9724279 0.67 GRM2 (0.47) HSD11B1L3MBTL1GRM2GRM3EPHX2
SCHEMBL15910722 0.66 L3MBTL1 (0.35) HSD11B1L3MBTL1EPHX2EPHX1
SCHEMBL11365396 0.65 KEAP1 (0.38) GRM2GRM3EPHX1
SCHEMBL15910721 0.64 EPHX2 (0.34) HSD11B1L3MBTL1EPHX2EPHX1
SCHEMBL13144964 0.63 EPHX2 (0.37) HSD11B1L3MBTL1EPHX2EPHX1
SCHEMBL2196307 0.63 GRM2 (0.36) HSD11B1GRM2GRM3EPHX2

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 5 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-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
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 HSD11B1 699/4885L3MBTL1 3045/4885GRM2 2100/4885
US-20110172457-A1 TETRAKIS(ETHER-SUBSTITUTED FORMYLPHENYL) AND NEW POLYNUCLEAR POLYPHENOL DERIVED FROM THE SAME AHR, PAH, ARNT HSD11B1 3313/4885L3MBTL1 4237/4885GRM2 2238/4885

“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.