SCHEMBL3784828

SCHEMBL3784828

CC(C)(C)Oc1cccc(OC(C)(C)C)c1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.43
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 2/20 0.33
HSD17B10 Q99714 2/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
MAPK1 P28482 2/20 0.32
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31

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
SCHEMBL24252065 0.88 ALDH1A1 (0.41) KCNH2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL3790638 0.84 KCNH2 (0.45) KCNH2ALDH1A1KDM4EHSD17B10MEN1
SCHEMBL16961897 0.81 KCNH2 (0.36) KCNH2ALDH1A1KDM4EHSD17B10MAPK1
SCHEMBL3820431 0.80 CA1 (0.45) KCNH2ALDH1A1KDM4EHSD17B10CA12
SCHEMBL29428931 0.80 CA1 (0.45) KCNH2ALDH1A1KDM4EHSD17B10CA12
SCHEMBL16957355 0.80 KCNH2 (0.35) KCNH2ALDH1A1KDM4EHSD17B10CA12
SCHEMBL16953562 0.80 KCNH2 (0.35) KCNH2
SCHEMBL2220781 0.79 KCNH2 (0.43) KCNH2ALDH1A1KDM4EHSD17B10CA12
SCHEMBL11553756 0.79 KCNH2 (0.43) KCNH2ALDH1A1KDM4EHSD17B10CA12
SCHEMBL3817668 0.79 ALDH1A1 (0.46) KCNH2ALDH1A1KDM4EHSD17B10CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-04-08 US disclosed
EP-1914221-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-04-23 EP 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 (1 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-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND NISCH, BLVRB, BBOX1 KCNH2 1145/4885ALDH1A1 4339/4885KDM4E 2606/4885

“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.