SCHEMBL13330461

SCHEMBL13330461

COc1cc(C(O)c2ccccc2)cc(C2(C)C3CC4CC(C3)CC2C4)c1OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.37
TSHR P16473 2/20 0.37
TUBB4A P04350 6/20 0.37
TUBB P07437 6/20 0.37
TUBA3C P0DPH7 6/20 0.37
TUBA1B P68363 6/20 0.37
TUBA4A P68366 6/20 0.37
TUBB4B P68371 6/20 0.37
TUBB3 Q13509 6/20 0.37
TUBB2A Q13885 6/20 0.37
TUBB8 Q3ZCM7 6/20 0.37
TUBA3E Q6PEY2 6/20 0.37
TUBA1A Q71U36 6/20 0.37
TUBA1C Q9BQE3 6/20 0.37
TUBB6 Q9BUF5 6/20 0.37
TUBB2B Q9BVA1 6/20 0.37
TUBB1 Q9H4B7 6/20 0.37
KMT2A Q03164 3/20 0.36
MAPT P10636 2/20 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
SCHEMBL13330407 0.87 CNR2 (0.40) CNR2SMN1; SMN2KMT2AMEN1
SCHEMBL13330423 0.87 CNR2 (0.42) CNR2SMN1; SMN2KMT2AMEN1
SCHEMBL13330455 0.84 CNR2 (0.45) CNR2SMN1; SMN2TSHRTUBB4ATUBB
SCHEMBL28276198 0.77 CNR2 (0.62) CNR2SMN1; SMN2TSHRTUBB4ATUBB
SCHEMBL13330434 0.75 FAAH (0.39) CNR2SMN1; SMN2KMT2AMAPTMEN1
SCHEMBL13330418 0.75 FAAH (0.39) CNR2SMN1; SMN2KMT2AMAPTMEN1
SCHEMBL13330459 0.74 ALDH1A1 (0.32) SMN1; SMN2MAPK1KDM4EALDH1A1
SCHEMBL13330449 0.72 CNR2 (0.44) CNR2SMN1; SMN2TSHRKMT2AMAPT
SCHEMBL13330414 0.72 CNR2 (0.44) CNR2KMT2AMEN1
SCHEMBL13330402 0.72 RARA (0.49) CNR2KMT2AMAPTMEN1KDM4E

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-20100113816-A1 METHOD FOR PREPARTION OF SUBSTITUTED ADAMANTYLARYMAGNESIUM HALIDES JSC GRINDEKS (LV) 2010-05-06 US disclosed
US-20100113816-A1 METHOD FOR PREPARTION OF SUBSTITUTED ADAMANTYLARYMAGNESIUM HALIDES JSC GRINDEKS (LV) 2010-05-06 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-20100113816-A1 METHOD FOR PREPARTION OF SUBSTITUTED ADAMANTYLARYMAGNESIUM HALIDES AGL, MACROD1, MACROD2 CNR2 1967/4885SMN1; SMN2 4655/4885TSHR 2667/4885

“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.