SCHEMBL3790261

SCHEMBL3790261

CC(C)(C)Oc1ccc(Cl)c(OC(C)(C)C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.41
HSP90AA1 P07900 1/20 0.34
MAPT P10636 2/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
PPARA Q07869 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 1/20 0.32
SLC6A4 P31645 7/20 0.32
HTR2A P28223 6/20 0.32
KCNH2 Q12809 6/20 0.32
ABL1 P00519 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
SCHEMBL6764273 0.84 HSP90AA1 (0.48) KIF11HSP90AA1MEN1KMT2ASLC6A4
SCHEMBL3789460 0.83 KIF11 (0.41) KIF11HSP90AA1MAPTMEN1CYP1A2
SCHEMBL3824427 0.82 KIF11 (0.43) KIF11MAPTMEN1CYP1A2CYP3A4
SCHEMBL3780972 0.79 TSHR (0.45) KIF11HSP90AA1MAPTMEN1CYP3A4
SCHEMBL6764225 0.79 SLC6A4 (0.41) KIF11MAPTCYP1A2CYP3A4CYP2D6
SCHEMBL15341306 0.78 KIF11 (0.41) KIF11CA12CA1CA2CA7
SCHEMBL23934150 0.78 ALDH1A1 (0.42) KIF11MAPTMEN1CYP2C19KMT2A
SCHEMBL15355207 0.77 KIF11 (0.40) KIF11CA12CA1CA2CA7
SCHEMBL16997499 0.77 CYP3A4 (0.43) KIF11HSP90AA1MAPTMEN1CYP1A2
SCHEMBL3784729 0.77 CYP3A4 (0.48) MAPTCYP3A4CA1CA2SLC6A4

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 KIF11 3999/4885HSP90AA1 4759/4885MAPT 3312/4885

“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.