SCHEMBL10072273

SCHEMBL10072273

CC(C)(C)c1ccc(-c2c3sc4ccccc4c3c(-c3ccc(C(C)(C)C)cc3)c3sc4ccccc4c23)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 3/20 0.50
TNKS2 Q9H2K2 3/20 0.50
TNF P01375 1/20 0.45
NOD1 Q9Y239 1/20 0.45
PMM2 O15305 1/20 0.40
MPI P34949 1/20 0.40
PHOSPHO1 Q8TCT1 1/20 0.40
PTPN1 P18031 2/20 0.40
CDK4 P11802 1/20 0.37
CCND1 P24385 1/20 0.37
MAP3K9 P80192 1/20 0.37
MAP3K11 Q16584 1/20 0.37
GPR3 P46089 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
KIF11 P52732 3/20 0.36

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
SCHEMBL10035438 0.80 TNKS (0.45) TNKSTNKS2TNFNOD1PMM2
SCHEMBL13477889 0.79 TNF (0.46) TNKSTNKS2TNFNOD1PMM2
SCHEMBL13507930 0.78 TNKS (0.42) TNKSTNKS2TNFNOD1PMM2
SCHEMBL9890855 0.78 ALOX5 (0.51) TNKSTNKS2TNFNOD1PMM2
SCHEMBL9890850 0.78 ALOX5 (0.48) TNKSTNKS2TNFNOD1PMM2
SCHEMBL24614807 0.78 TNKS (0.43) TNKSTNKS2TNFNOD1PMM2
SCHEMBL19735276 0.76 ALOX5 (0.56) TNKSTNKS2TNFNOD1PMM2
SCHEMBL17821476 0.76 TNF (0.44) TNKSTNKS2TNFNOD1PMM2
SCHEMBL24614705 0.75 TNKS (0.41) TNKSTNKS2TNFNOD1PMM2
SCHEMBL3866832 0.75 KIF11 (0.43) TNKSTNKS2TNFNOD1PMM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110017981-A1 PROCESS FOR THE PREPARATION OF SEMICONDUCTING LAYERS BASF SE (US) 2011-01-27 US disclosed
US-20100117066-A1 Organic Semiconductors MERCK PATENT GMBH (DE) 2010-05-13 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-20100117066-A1 Organic Semiconductors DBF4, DDT, SOAT1 TNKS 3545/4885TNKS2 3513/4885TNF 3392/4885

“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.