SCHEMBL3129669

SCHEMBL3129669

C(=Cc1ccc2c(c1)sc1c3ccc(C=Cc4ccccc4)cc3sc21)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RELA Q04206 2/20 0.47
▸ MAOB P27338 3/20 0.42
▸ NFE2L2 Q16236 3/20 0.42
▸ CYP19A1 P11511 2/20 0.42
▸ MAOA P21397 2/20 0.42
▸ CYP1A1 P04798 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP1B1 Q16678 1/20 0.42
▸ PTPN1 P18031 1/20 0.40
▸ HNF4A P41235 1/20 0.40
▸ TUBB1 Q9H4B7 1/20 0.39
▸ TRPA1 O75762 1/20 0.38
▸ IP6K1 Q92551 1/20 0.37
▸ IP6K3 Q96PC2 1/20 0.37
▸ IP6K2 Q9UHH9 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ KMT2A Q03164 1/20 0.37

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
SCHEMBL13167668 1.00 RELA (0.47) RELAMAOBNFE2L2CYP19A1MAOA
SCHEMBL13167637 0.88 RELA (0.50) RELAMAOBNFE2L2CYP19A1MAOA
SCHEMBL9976853 0.84 RELA (0.56) RELACYP1A2PTPN1KDM4EMEN1
SCHEMBL10037393 0.83 NFE2L2 (0.47) RELANFE2L2TUBB1
SCHEMBL10031359 0.83 NFE2L2 (0.47) RELANFE2L2TUBB1
SCHEMBL14156082 0.83 NFE2L2 (0.47) RELANFE2L2TUBB1
SCHEMBL14156194 0.80 NFE2L2 (0.44) RELANFE2L2TUBB1
SCHEMBL14156195 0.80 NFE2L2 (0.44) RELANFE2L2TUBB1
SCHEMBL12884282 0.80 NPC1 (0.50) IP6K1MEN1ALDH1A1KMT2A
SCHEMBL13520148 0.79 ALOX5 (0.46) MAOBMAOATUBB1KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100006830-A1 Organic semiconductor compound based on 2,7-bis-(vinyl)[1]benzothieno[3,2-b]benzothiophene, organic semiconductor thin film and transistor using the same and methods of forming the same SAMSUNG ELECTRONICS CO., LTD. 2010-01-14 — — 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-20100006830-A1 Organic semiconductor compound based on 2,7-bis-(vinyl)[1]benzothieno[3,2-b]benzothiophene, organic semiconductor thin film and transistor using the same and methods of forming the same BPNT1, TST, SULT1E1 RELA 2252/4885MAOB 587/4885NFE2L2 1183/4885

“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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