SCHEMBL12314779

SCHEMBL12314779

CCc1cc2c(=C(C#N)C#N)c3sc(CC)cc3c(=C(C#N)C#N)c2s1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SELE P16581 1/20 0.33
▸ VCAM1 P19320 1/20 0.33
▸ ALDH1A1 P00352 3/20 0.32
▸ MAPT P10636 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ CYP1A2 P05177 3/20 0.32
▸ CYP2C9 P11712 3/20 0.32
▸ TMIGD3 P0DMS9 1/20 0.32
▸ ADORA1 P30542 1/20 0.32
▸ KDM4E B2RXH2 2/20 0.31
▸ TSHR P16473 1/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ HTT P42858 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
SCHEMBL11892900 0.95 SELE (0.33) SELEVCAM1ALDH1A1MAPTL3MBTL1
SCHEMBL12336836 0.92 — —
SCHEMBL12651752 0.89 LMNA (0.31) ALDH1A1MAPTL3MBTL1
SCHEMBL15276697 0.88 — —
SCHEMBL11892862 0.85 LMNA (0.31) —
SCHEMBL18874433 0.80 — —
SCHEMBL13021047 0.78 — —
SCHEMBL12567048 0.76 PKM (0.31) —
SCHEMBL11892865 0.73 ERCC5 (0.34) ALDH1A1MAPTCYP1A2CYP2C9TSHR
SCHEMBL20306486 0.71 — —

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-8389670-B2 Dithienobenzo-thieno[3,2-B]thiophene-copolymer and its use as high performance solution processable semiconducting polymer BASF SE (DE) 2013-03-05 — — US disclosed
US-8329855-B2 Thienocoronene-imide semiconducting compounds and polymers POLYERA CORPORATION (US) 2012-12-11 — — US disclosed
US-20120289672-A1 DITHIENOBENZO-THIENO[3,2-B]THIOPHENE-COPOLYMER AND ITS USE AS HIGH PERFORMANCE SOLUTION PROCESSABLE SEMICONDUCTING POLYMER MAX-PLANCK-GESELLSCHAFT ZUR FOERDERUNG DER WISSENSCHAFTEN E.V. (DE) 2012-11-15 — — US disclosed
US-20120264900-A1 THIENOCORONENE-IMIDE SEMICONDUCTING COMPOUNDS AND POLYMERS USINVEST LLC 2012-10-18 — — US disclosed
US-20110213117-A1 Organic Semiconducting Polymers POLYERA CORPORATION (US) 2011-09-01 — — US disclosed
US-20110136333-A1 SEMICONDUCTOR MATERIALS AND METHODS OF PREPARATION AND USE THEREOF BASF SE (DE) 2011-06-09 — — 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-20120264900-A1 THIENOCORONENE-IMIDE SEMICONDUCTING COMPOUNDS AND POLYMERS TST, TPR, SLC19A2 SELE 80/4885VCAM1 2539/4885ALDH1A1 4190/4885
US-20110136333-A1 SEMICONDUCTOR MATERIALS AND METHODS OF PREPARATION AND USE THEREOF NIPSNAP1, SLC43A1, NCL SELE 41/4885VCAM1 1956/4885ALDH1A1 4585/4885

“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.

Send feedback