SCHEMBL426498

SCHEMBL426498

COc1ccc2[nH]c(C(=O)c3cc(OC)c(OC)c(OC)c3)cc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 3/20 0.72
PDGFRA P16234 3/20 0.72
MEN1 O00255 1/20 0.70
CYP1A2 P05177 1/20 0.70
CYP3A4 P08684 1/20 0.70
CYP2C9 P11712 1/20 0.70
TSHR P16473 1/20 0.70
KMT2A Q03164 1/20 0.70
HDAC6 Q9UBN7 1/20 0.70
FLT3 P36888 3/20 0.64

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
SCHEMBL430120 0.90 FLT3 (0.64) PDGFRBPDGFRAMEN1CYP1A2CYP3A4
SCHEMBL7065750 0.87 FLT3 (0.64) PDGFRBPDGFRAMEN1CYP1A2CYP3A4
SCHEMBL426733 0.86 MEN1 (0.65) PDGFRBPDGFRAMEN1CYP1A2CYP3A4
SCHEMBL31705824 0.86 FLT3 (0.64) PDGFRBPDGFRAMEN1CYP1A2CYP3A4
SCHEMBL428047 0.86 FLT3 (0.64) PDGFRBPDGFRAMEN1CYP1A2CYP3A4
SCHEMBL6395923 0.85 HDAC6 (0.84) PDGFRBPDGFRAMEN1CYP1A2CYP3A4
SCHEMBL6866887 0.84 PDGFRB (1.00) PDGFRBPDGFRAMEN1CYP1A2CYP3A4
SCHEMBL7066142 0.84 FLT3 (0.69) PDGFRBPDGFRAMEN1CYP1A2CYP3A4
SCHEMBL426783 0.84 PDGFRB (0.74) PDGFRBPDGFRAMEN1CYP1A2CYP3A4
SCHEMBL10176422 0.84 PDGFRB (0.58) PDGFRBPDGFRAMEN1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180118693-A1 COMPOUNDS FOR TREATMENT OF CANCER GTX, INC. (US) 2018-05-03 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-20120022121-A1 INDOLES, DERIVATIVES AND ANALOGS THEREOF AND USES THEREFOR NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2012-01-26 US disclosed
US-20030158216-A1 2-acyl indole derivatives and their use as antitumor agents BAXTER ONCOLOGY GMBH 2003-08-21 US disclosed
US-20020091124-A1 2-acyl indole derivatives and their use as antitumor agents BECKERS THOMAS (DE) 2002-07-11 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 (4 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 2983/4885MEN1 1042/4885
US-20180118693-A1 COMPOUNDS FOR TREATMENT OF CANCER TP53, TUBB1, TUBB6 PDGFRB 3105/4885PDGFRA 3726/4885MEN1 2527/4885
US-20030158216-A1 2-acyl indole derivatives and their use as antitumor agents IDO1, IDO2, INMT PDGFRB 3807/4885PDGFRA 3147/4885MEN1 1405/4885
US-20020091124-A1 2-acyl indole derivatives and their use as antitumor agents IDO1, IDO2, INMT PDGFRB 3807/4885PDGFRA 3147/4885MEN1 1405/4885

“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.