SCHEMBL10045611

SCHEMBL10045611

CC(C)(C)c1ccc(C#Cc2c3sc4ccccc4c3c(C#Cc3ccc(C(C)(C)C)cc3)c3sc4ccccc4c23)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TNKS O95271 2/20 0.41
▸ TNKS2 Q9H2K2 2/20 0.41
▸ RARB P10826 2/20 0.39
▸ RARG P13631 1/20 0.39
▸ L3MBTL1 Q9Y468 3/20 0.37
▸ ATM Q13315 1/20 0.37
▸ PMM2 O15305 1/20 0.37
▸ MPI P34949 1/20 0.37
▸ PHOSPHO1 Q8TCT1 1/20 0.37
▸ TNF P01375 1/20 0.35
▸ NOD1 Q9Y239 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ KIF11 P52732 2/20 0.33
▸ GPR3 P46089 1/20 0.32
▸ APEX1 P27695 1/20 0.32
▸ ACACB O00763 2/20 0.32
▸ CDK4 P11802 1/20 0.32
▸ CCND1 P24385 1/20 0.32
▸ MAP3K9 P80192 1/20 0.32
▸ MAP3K11 Q16584 1/20 0.32

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
SCHEMBL14020384 0.88 TNKS (0.34) TNKSTNKS2RARBRARGL3MBTL1
SCHEMBL13335314 0.83 APP (0.43) TNKSTNKS2L3MBTL1ATMTDP1
SCHEMBL13335309 0.75 GPR3 (0.41) TNKSTNKS2L3MBTL1ATMGPR3
SCHEMBL10072273 0.73 TNKS (0.50) TNKSTNKS2PMM2MPIPHOSPHO1
SCHEMBL10045616 0.71 LIMK1 (0.38) TNKSTNKS2L3MBTL1ATMGPR3
SCHEMBL1086002 0.70 RARB (0.62) RARBRARGL3MBTL1TDP1KIF11
SCHEMBL25413986 0.70 RARB (0.65) RARBRARGTDP1KIF11ACACB
SCHEMBL5955970 0.69 RARB (0.45) TNKSTNKS2RARBRARGL3MBTL1
SCHEMBL10045632 0.68 ASIC3 (0.37) L3MBTL1ATMTDP1ALDH1A1KDM4E
SCHEMBL10045597 0.68 ALDH1A1 (0.37) TNKSTNKS2L3MBTL1ATMGPR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2573833-A1 Organic semiconductors, their manufacture and semiconductor devices comprising them BASF SE (DE) 2013-03-27 — — EP disclosed
EP-1961052-B1 ORGANIC SEMICONDUCTORS AND THEIR MANUFACTURE BASF SE (DE) 2013-03-06 — — EP disclosed
US-8101776-B2 Organic semiconductors and their manufacture BASF SE (DE) 2012-01-24 — — US disclosed
US-8101776-B2 Organic semiconductors and their manufacture BASF SE (DE) 2012-01-24 — — US disclosed
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
US-20090299070-A1 Organic Semiconductors and Their Manufacture CLAP CO., LTD. (KR) 2009-12-03 — — US disclosed
US-20090299070-A1 Organic Semiconductors and Their Manufacture CLAP CO., LTD. (KR) 2009-12-03 — — US disclosed
WO-2009077349-A1 PROCESS FOR THE PREPARATION OF SEMICONDUCTING LAYERS BASF SE (DE) 2009-06-25 — — WO disclosed
WO-2008131835-A1 ORGANIC SEMICONDUCTORS MERCK PATENT GMBH (DE) 2008-11-06 — — WO disclosed
WO-2007068618-A1 ORGANIC SEMICONDUCTORS AND THEIR MANUFACTURE CIBA HOLDING INC. (CH) 2007-06-21 — — 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-20100117066-A1 Organic Semiconductors DBF4, DDT, SOAT1 TNKS 3545/4885TNKS2 3513/4885RARB 1513/4885
US-20090299070-A1 Organic Semiconductors and Their Manufacture YBX1, CDYL, PROX1 TNKS 3880/4885TNKS2 3760/4885RARB 1764/4885

“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.

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