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Sugi Predict / Compounds / SCHEMBL650640

SCHEMBL650640

SCHEMBL650640

CCC[Si](C#Cc1c2cc3ccccc3cc2c(C#C[Si](CC)(CCC)CCC)c2cc3ccccc3cc12)(CC)CCC

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ NQO1 P15559 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP2A6 P11509 1/20 0.31
▸ TLR8 Q9NR97 1/20 0.31
▸ ELANE P08246 1/20 0.30

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
SCHEMBL653694 0.94 — —
SCHEMBL649824 0.93 MEN1 (0.33) NQO1CYP1A2CYP2A6TLR8ELANE
SCHEMBL29628718 0.90 CYP1A2 (0.34) NQO1CYP1A2CYP2A6TLR8ELANE
SCHEMBL649438 0.90 CYP1A2 (0.34) NQO1CYP1A2CYP2A6TLR8ELANE
SCHEMBL650014 0.88 ATM (0.33) —
SCHEMBL18405847 0.87 CYP1A2 (0.32) NQO1CYP1A2CYP2A6ELANE
SCHEMBL653075 0.84 HTR2A (0.31) NQO1CYP1A2CYP2A6ELANE
SCHEMBL14126376 0.83 MAPT (0.32) NQO1CYP1A2CYP2A6ELANE
SCHEMBL793257 0.83 MAPT (0.32) NQO1CYP1A2CYP2A6ELANE
SCHEMBL650877 0.82 ELANE (0.33) NQO1CYP1A2CYP2A6TLR8ELANE

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-7842942-B2 Organic semiconducting layers MERCK PATENT GMBH (DE) 2010-11-30 — — US claimed
US-8119804-B2 Organic semiconducting layers MERCK PATENT GMBH (DE) 2012-02-21 — — US disclosed
US-7842942-B2 Organic semiconducting layers MERCK PATENT GMBH (DE) 2010-11-30 — — US disclosed
US-7807993-B2 Organic pentacene semiconducting layers MERCK PATENT GMBH (DE) 2010-10-05 — — US disclosed
US-20100227956-A1 Organic Semiconducting Layers FLEXENABLE TECHNOLOGY LIMITED (GB) 2010-09-09 — — US disclosed
US-7576208-B2 Organic semiconductor layers MERCK PATENT GMBH (DE) 2009-08-18 — — US disclosed
US-20080009625-A1 6,13-bis(triisopropylsilylethynyl)pentacene, use in in various electronic devices and in a formulation for ink jet printing and in an organic field effect transistors FLEXENABLE TECHNOLOGY LIMITED (GB) 2008-01-10 — — US disclosed
US-20070137520-A1 ORGANIC SEMICONDUCTING LAYERS FLEXENABLE TECHNOLOGY LIMITED (GB) 2007-06-21 — — US disclosed
US-20070102696-A1 Organic semiconducting layers FLEXENABLE TECHNOLOGY LIMITED (GB) 2007-05-10 — — 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 (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-20080009625-A1 6,13-bis(triisopropylsilylethynyl)pentacene, use in in various electronic devices and in a formulation for ink jet printing and in an organic field effect transistors OR10J3, RCOR3, H1-10 NQO1 3989/4885CYP1A2 1696/4885CYP2A6 1540/4885
US-20070102696-A1 Organic semiconducting layers SSB, RCOR3, CNKSR1 NQO1 2167/4885CYP1A2 1931/4885CYP2A6 2544/4885

“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.