SCHEMBL424789

SCHEMBL424789

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

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMO Q99835 2/20 0.63
TUBB4A P04350 16/20 0.56
TUBB P07437 16/20 0.56
TUBA3C P0DPH7 16/20 0.56
TUBA1B P68363 16/20 0.56
TUBA4A P68366 16/20 0.56
TUBB4B P68371 16/20 0.56
TUBB3 Q13509 16/20 0.56
TUBB2A Q13885 16/20 0.56
TUBB8 Q3ZCM7 16/20 0.56
TUBA3E Q6PEY2 16/20 0.56
TUBA1A Q71U36 16/20 0.56
TUBA1C Q9BQE3 16/20 0.56
TUBB6 Q9BUF5 16/20 0.56
TUBB2B Q9BVA1 16/20 0.56
TUBB1 Q9H4B7 16/20 0.56
PDGFRB P09619 1/20 0.53
PDGFRA P16234 1/20 0.53
TP53 P04637 1/20 0.50
SMN1; SMN2 Q16637 1/20 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
SCHEMBL426111 0.89 SMO (0.55) SMOTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL10176449 0.88 SMO (0.50) SMOTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL425092 0.87 TUBB4A (0.57) SMOTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL10176211 0.86 SMO (0.57) SMOTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL13814176 0.86 SMO (0.63) SMOTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL428051 0.86 NPC1 (0.56) SMOTUBB1PDGFRBPDGFRANPSR1
SCHEMBL430192 0.84 NPC1 (0.57) SMOPDGFRBPDGFRASMN1; SMN2
SCHEMBL10176213 0.84 SMO (0.58) SMOTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL29260977 0.84 TUBB4A (0.56) SMOTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL13814178 0.84 SMO (0.57) SMOTUBB4ATUBBTUBA3CTUBA1B

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 7 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
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

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 SMO 612/4885TUBB4A 6/4885TUBB 1/4885
US-20090142832-A1 Indoles, Derivatives, and Analogs Thereof and Uses Therefor TUBB, TUBB1, TUBB6 SMO 1472/4885TUBB4A 10/4885TUBB 1/4885

“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.