SCHEMBL4158740

SCHEMBL4158740

COc1c[c]cc(C)c1OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.41
CA9 Q16790 2/20 0.34
CYP3A4 P08684 1/20 0.34
MAPT P10636 1/20 0.34
TUBB1 Q9H4B7 3/20 0.32
PTGS2 P35354 1/20 0.32
CYP19A1 P11511 6/20 0.32
NQO2 P16083 6/20 0.32
ALDH1A1 P00352 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA4 P22748 1/20 0.31
CA7 P43166 1/20 0.31
CA14 Q9ULX7 1/20 0.31
TUBB4A P04350 2/20 0.31
TUBB P07437 2/20 0.31
TUBA3C P0DPH7 2/20 0.31
TUBA1B P68363 2/20 0.31
TUBA4A P68366 2/20 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
SCHEMBL76231 0.85 ACHE (0.48) ACHECA9CYP3A4MAPTTUBB1
SCHEMBL29760 0.85 ACHE (0.36) ACHEALDH1A1
Fluoride SCHEMBL28104198 0.82 ACHE (0.46) ACHECA9CYP3A4MAPTTUBB1
SCHEMBL2287683 0.78 ACHE (0.32) ACHECA9CA12CA1CA2
SCHEMBL27888199 0.76 CYP3A4 (0.44) ACHECA9CYP3A4MAPTTUBB1
SCHEMBL2286278 0.74 NQO2 (0.34) ACHEMAPTNQO2
SCHEMBL2284733 0.74 PDE3B (0.32) ACHEMAPT
SCHEMBL5362959 0.74 EGFR (0.40) CA9CYP3A4MAPTPTGS2ALDH1A1
SCHEMBL2290810 0.74 TUBB1 (0.31) ACHETUBB1
SCHEMBL945282 0.74 ACHE (0.34) ACHECA9CYP3A4MAPTPTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090131256-A1 Substituted 1-(azolin-2-yl)-amino-2-aryl-1-hetaryl-ethane Compounds BASF SE (DE) 2009-05-21 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 (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-20090131256-A1 Substituted 1-(azolin-2-yl)-amino-2-aryl-1-hetaryl-ethane Compounds AAAS, AIPL1, ATXN2 ACHE 813/4885CA9 3761/4885CYP3A4 2419/4885

“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.