SCHEMBL424534

SCHEMBL424534

COc1cc(-c2cccc(C(=O)c3cc4ccccc4[nH]3)c2)cc(OC)c1OC

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 3/20 0.59
PDGFRA P16234 3/20 0.59
FLT3 P36888 4/20 0.58
SMO Q99835 2/20 0.53
TUBB4A P04350 3/20 0.50
TUBB P07437 3/20 0.50
TUBA3C P0DPH7 3/20 0.50
TUBA1B P68363 3/20 0.50
TUBA4A P68366 3/20 0.50
TUBB4B P68371 3/20 0.50
TUBB3 Q13509 3/20 0.50
TUBB2A Q13885 3/20 0.50
TUBB8 Q3ZCM7 3/20 0.50
TUBA3E Q6PEY2 3/20 0.50
TUBA1A Q71U36 3/20 0.50
TUBA1C Q9BQE3 3/20 0.50
TUBB6 Q9BUF5 3/20 0.50
TUBB2B Q9BVA1 3/20 0.50
TUBB1 Q9H4B7 3/20 0.50
MEN1 O00255 2/20 0.50

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
SCHEMBL426783 0.86 PDGFRB (0.74) PDGFRBPDGFRAFLT3SMOTUBB4A
SCHEMBL10227650 0.82 FLT3 (0.65) PDGFRBPDGFRAFLT3MEN1KMT2A
SCHEMBL424789 0.81 SMO (0.63) PDGFRBPDGFRASMOTUBB4ATUBB
SCHEMBL10176444 0.81 FLT3 (0.55) PDGFRBPDGFRAFLT3MEN1KMT2A
SCHEMBL10227643 0.79 FLT3 (0.59) PDGFRBPDGFRAFLT3MEN1KMT2A
SCHEMBL6395697 0.79 MEN1 (0.73) PDGFRBPDGFRAFLT3MEN1KMT2A
SCHEMBL430038 0.78 TUBB4A (0.59) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL423127 0.77 FLT3 (0.61) PDGFRBPDGFRAFLT3MEN1KMT2A
SCHEMBL29260977 0.75 TUBB4A (0.56) PDGFRBPDGFRASMOTUBB4ATUBB
SCHEMBL10227642 0.75 FLT3 (0.54) PDGFRBPDGFRAFLT3MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120022121-A1 INDOLES, DERIVATIVES AND ANALOGS THEREOF AND USES THEREFOR NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2012-01-26 US disclosed
US-20120022121-A1 INDOLES, DERIVATIVES AND ANALOGS THEREOF AND USES THEREFOR NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2012-01-26 US disclosed
US-20120022121-A1 INDOLES, DERIVATIVES AND ANALOGS THEREOF AND USES THEREFOR NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2012-01-26 US disclosed
EP-2222659-A1 INDOLES, DERIVATIVES, AND ANALOGS THEREOF AND USES THEREOF The Ohio State University Research Foundation (US) 2010-09-01 EP disclosed
US-20090142832-A1 Indoles, Derivatives, and Analogs Thereof and Uses Therefor NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2009-06-04 US disclosed
US-20090142832-A1 Indoles, Derivatives, and Analogs Thereof and Uses Therefor NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2009-06-04 US disclosed
US-20090142832-A1 Indoles, Derivatives, and Analogs Thereof and Uses Therefor NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2009-06-04 US disclosed
WO-2009070645-A1 INDOLES, DERIVATIVES, AND ANALOGS THEREOF AND USES THEREOF THE OHIO UNIVERSITY RESEARCH FOUNDATION (US) 2009-06-04 WO disclosed
WO-2009070645-A1 INDOLES, DERIVATIVES, AND ANALOGS THEREOF AND USES THEREOF THE OHIO UNIVERSITY RESEARCH FOUNDATION (US) 2009-06-04 WO 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 (2 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-20120022121-A1 INDOLES, DERIVATIVES AND ANALOGS THEREOF AND USES THEREFOR TUBB, TUBB3, TUBB1 PDGFRB 2578/4885PDGFRA 2983/4885FLT3 3889/4885
US-20090142832-A1 Indoles, Derivatives, and Analogs Thereof and Uses Therefor TUBB, TUBB1, TUBB6 PDGFRB 2227/4885PDGFRA 2659/4885FLT3 3133/4885

“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.