SCHEMBL3785598

SCHEMBL3785598

CC(C)(C)Oc1cc(N)cc(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.48
TP53 P04637 1/20 0.48
ALDH1A1 P00352 3/20 0.32
MAPT P10636 1/20 0.31
MAOA P21397 1/20 0.30
MAOB P27338 1/20 0.30

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
SCHEMBL2154864 0.84 ALDH1A1 (0.41) CYP3A4TP53ALDH1A1MAPT
SCHEMBL3786242 0.84 TSHR (0.35) CYP3A4ALDH1A1MAPT
SCHEMBL13019811 0.84 TSHR (0.42) CYP3A4TP53MAPT
SCHEMBL30105030 0.79 CYP3A4 (0.48) CYP3A4TP53ALDH1A1MAPT
SCHEMBL4427069 0.79 CYP3A4 (0.48) CYP3A4TP53ALDH1A1MAPT
SCHEMBL15934242 0.77 GABRA1 (0.34) CYP3A4ALDH1A1MAPT
SCHEMBL29371018 0.76 CYP3A4 (0.55) CYP3A4TP53ALDH1A1
SCHEMBL291988 0.76 CYP3A4 (0.55) CYP3A4TP53ALDH1A1
SCHEMBL16585078 0.75 DDR1 (0.31)
SCHEMBL16957559 0.75

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 CYP3A4 177/4885TP53 2819/4885ALDH1A1 4339/4885

“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.