SCHEMBL20100899

SCHEMBL20100899

COc1ccc(-c2oc3cc(C)cc(O)c3c(=O)c2OC)cc1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.80
CYP2D6 P10635 2/20 0.80
MAPT P10636 2/20 0.72
TUBB4A P04350 2/20 0.72
TUBB P07437 2/20 0.72
TUBA3C P0DPH7 2/20 0.72
TUBA1B P68363 2/20 0.72
TUBA4A P68366 2/20 0.72
TUBB4B P68371 2/20 0.72
TUBB3 Q13509 2/20 0.72
TUBB2A Q13885 2/20 0.72
TUBB8 Q3ZCM7 2/20 0.72
TUBA3E Q6PEY2 2/20 0.72
TUBA1A Q71U36 2/20 0.72
TUBA1C Q9BQE3 2/20 0.72
TUBB6 Q9BUF5 2/20 0.72
TUBB2B Q9BVA1 2/20 0.72
TUBB1 Q9H4B7 2/20 0.72
PKM P14618 1/20 0.72
XDH P47989 1/20 0.72

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
SCHEMBL30131217 0.90 CYP3A4 (0.88) CYP3A4CYP2D6MAPTTUBB4ATUBB
SCHEMBL4649968 0.90 CYP3A4 (0.88) CYP3A4CYP2D6MAPTTUBB4ATUBB
SCHEMBL12455834 0.89 CYP1A1 (0.79) CYP3A4CYP2D6MAPTTUBB4ATUBB
SCHEMBL20100897 0.89 ABCB1 (0.79) CYP3A4CYP2D6MAPTTUBB4ATUBB
Ermanin SCHEMBL2875089 0.89 CYP3A4 (1.00) CYP3A4CYP2D6MAPTTUBB4ATUBB
SCHEMBL20100901 0.86 ADORA3 (0.81) CYP3A4CYP2D6MAPTTUBB4ATUBB
SCHEMBL20100900 0.85 ABCG2 (0.79) CYP3A4CYP2D6MAPTTUBB4ATUBB
Kumatakenin SCHEMBL29681818 0.85 KDM4E (0.83) CYP3A4CYP2D6MAPTTUBB4ATUBB
Kumatakenin SCHEMBL3351483 0.85 KDM4E (0.83) CYP3A4CYP2D6MAPTTUBB4ATUBB
Santin SCHEMBL82415 0.84 TUBB4A (1.00) CYP3A4CYP2D6MAPTTUBB4ATUBB

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-20180117000-A1 ENERGY METABOLIC ACTIVATING AGENT FOR MUSCLE CELLS ORYZA OIL & FAT CHEMICAL CO., LTD. (JP) 2018-05-03 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-20180117000-A1 ENERGY METABOLIC ACTIVATING AGENT FOR MUSCLE CELLS SLC2A1, SLC2A2, SLC2A4 CYP3A4 1044/4885CYP2D6 919/4885MAPT 4313/4885

“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.