SCHEMBL2196307

SCHEMBL2196307

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

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 2/20 0.36
GRM3 Q14832 2/20 0.36
KMT2A Q03164 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 2/20 0.34
MAPK1 P28482 1/20 0.34
EPHX2 P34913 1/20 0.33
MEN1 O00255 1/20 0.33
HSD11B1 P28845 1/20 0.33
P2RX7 Q99572 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
SCHEMBL2194685 0.75 THRB (0.35) GRM2GRM3KMT2AALDH1A1MAPK1
SCHEMBL4990698 0.70 THRB (0.38) KMT2AALDH1A1MAPK1EPHX2MEN1
SCHEMBL1994420 0.69 THRB (0.33) KMT2ASMN1; SMN2ALDH1A1EPHX2MEN1
SCHEMBL6865794 0.69 THRB (0.40) GRM2GRM3ALDH1A1EPHX2HSD11B1
SCHEMBL1990174 0.68 THRB (0.32) KMT2ASMN1; SMN2ALDH1A1
SCHEMBL6740182 0.67 KMT2A (0.33) KMT2ASMN1; SMN2ALDH1A1EPHX2MEN1
SCHEMBL6346239 0.67 KMT2A (0.33) KMT2ASMN1; SMN2ALDH1A1EPHX2MEN1
SCHEMBL26939593 0.67 KMT2A (0.33) GRM2GRM3KMT2ASMN1; SMN2ALDH1A1
SCHEMBL9724273 0.67 THRB (0.39) GRM2GRM3ALDH1A1EPHX2
SCHEMBL2190387 0.67 THRB (0.35) GRM2GRM3KMT2AALDH1A1MAPK1

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 GRM2 2100/4885GRM3 858/4885KMT2A 1370/4885
US-20110172457-A1 TETRAKIS(ETHER-SUBSTITUTED FORMYLPHENYL) AND NEW POLYNUCLEAR POLYPHENOL DERIVED FROM THE SAME AHR, PAH, ARNT GRM2 2238/4885GRM3 1029/4885KMT2A 1921/4885

“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.