SCHEMBL3780972

SCHEMBL3780972

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.45
TP53 P04637 1/20 0.45
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
DRD4 P21917 1/20 0.39
KIF11 P52732 1/20 0.39
NPC1 O15118 2/20 0.37
RAB9A P51151 1/20 0.37
GAA P10253 2/20 0.37
TUBB4A P04350 1/20 0.36
TUBB P07437 1/20 0.36
TUBA3C P0DPH7 1/20 0.36
TUBA1B P68363 1/20 0.36
TUBA4A P68366 1/20 0.36
TUBB4B P68371 1/20 0.36
TUBB3 Q13509 1/20 0.36

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
SCHEMBL3790344 0.84 CYP3A4 (0.45) TSHRCA12CA1CA2CA7
SCHEMBL28685254 0.81 NR4A1 (0.56) TSHRTP53KIF11NPC1RAB9A
SCHEMBL6764273 0.81 HSP90AA1 (0.48) TSHRTP53KIF11MEN1KMT2A
SCHEMBL5234261 0.80 TP53 (0.45) TSHRTP53CA12CA1CA2
SCHEMBL3790261 0.79 KIF11 (0.41) CA12CA1CA2CA7CA9
SCHEMBL4304628 0.79 DRD4 (0.43) TSHRTP53CA12CA1CA2
SCHEMBL13577120 0.78 DRD4 (0.39) TSHRTP53CA12CA1CA2
SCHEMBL20215002 0.78 ALDH1A1 (0.46) TSHRKIF11GAATUBB4ATUBB
SCHEMBL110854 0.77 ALDH1A1 (0.57) TSHRTP53CA12CA1CA2
SCHEMBL4615608 0.76 ALDH1A1 (0.60) CA12CA1CA2CA9KIF11

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 TSHR 1688/4885TP53 2819/4885CA12 1438/4885

“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.