SCHEMBL3916211

SCHEMBL3916211

COc1ccc2c(Oc3cc(OC)c(OC)c(OC)c3)c(C)[nH]c2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 11/20 0.61
PTGS1 P23219 3/20 0.56
PTGS2 P35354 3/20 0.56
TUBB4A P04350 9/20 0.52
TUBB P07437 9/20 0.52
TUBA3C P0DPH7 9/20 0.52
TUBA1B P68363 9/20 0.52
TUBA4A P68366 9/20 0.52
TUBB4B P68371 9/20 0.52
TUBB3 Q13509 9/20 0.52
TUBB2A Q13885 9/20 0.52
TUBB8 Q3ZCM7 9/20 0.52
TUBA3E Q6PEY2 9/20 0.52
TUBA1A Q71U36 9/20 0.52
TUBA1C Q9BQE3 9/20 0.52
TUBB6 Q9BUF5 9/20 0.52
TUBB2B Q9BVA1 9/20 0.52
KDM4E B2RXH2 4/20 0.49
ALDH1A1 P00352 3/20 0.49
RXFP1 Q9HBX9 1/20 0.49

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
SCHEMBL3916595 0.89 TUBB1 (0.62) TUBB1PTGS1PTGS2TUBB4ATUBB
SCHEMBL3917866 0.86 PTGS1 (0.53) TUBB1PTGS1PTGS2TUBB4ATUBB
SCHEMBL3918345 0.84 TUBB4A (0.59) TUBB1PTGS1PTGS2TUBB4ATUBB
SCHEMBL3915711 0.78 TUBB1 (0.48) TUBB1PTGS1PTGS2TUBB4ATUBB
SCHEMBL1562262 0.76 TUBB1 (1.00) TUBB1PTGS1PTGS2TUBB4ATUBB
SCHEMBL31004957 0.75 TUBB1 (0.76) TUBB1PTGS1PTGS2TUBB4ATUBB
SCHEMBL3916999 0.74 PTGS1 (0.50) TUBB1PTGS1PTGS2TUBB4ATUBB
SCHEMBL31498186 0.73 KDM4E (0.59) TUBB1PTGS1PTGS2KDM4EALDH1A1
SCHEMBL5196745 0.73 KDM4E (0.59) TUBB1PTGS1PTGS2KDM4EALDH1A1
SCHEMBL3917889 0.71 TUBB1 (0.49) TUBB1PTGS1PTGS2TUBB4ATUBB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7528165-B2 Indole compounds NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2009-05-05 US claimed
US-20050267108-A1 Indole compounds NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2005-12-01 US claimed
US-7528165-B2 Indole compounds NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2009-05-05 US disclosed
US-7528165-B2 Indole compounds NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2009-05-05 US disclosed
US-20050267108-A1 Indole compounds NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2005-12-01 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-20050267108-A1 Indole compounds TUBB1, TUBB3, TUBB TUBB1 1/4885PTGS1 652/4885PTGS2 1054/4885

“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.