SCHEMBL18843138

SCHEMBL18843138

CCOC(C)(C)C#Cc1c2cc3ccccc3cc2c(C#CC(C)(C)OCC)c2cc3sc(S(=O)(=O)c4ccc(C)cc4)cc3cc12

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.32
▸ KDM4E B2RXH2 4/20 0.32
▸ NPSR1 Q6W5P4 2/20 0.32
▸ GAA P10253 2/20 0.32
▸ RXFP1 Q9HBX9 1/20 0.32
▸ SMN1; SMN2 Q16637 3/20 0.32
▸ HTT P42858 1/20 0.32
▸ TP53 P04637 2/20 0.31
▸ MAPT P10636 2/20 0.31
▸ HTR6 P50406 1/20 0.31
▸ SQLE Q14534 1/20 0.31
▸ NOD2 Q9HC29 1/20 0.31
▸ NOD1 Q9Y239 1/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ MCOLN3 Q8TDD5 1/20 0.30
▸ LMNA P02545 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
SCHEMBL18843135 0.90 HTT (0.31) SMN1; SMN2HTTNOD2NOD1
SCHEMBL18843125 0.89 ALDH1A1 (0.33) ALDH1A1KDM4ENPSR1GAARXFP1
SCHEMBL18843155 0.87 HTR6 (0.31) MAPTHTR6
SCHEMBL18843132 0.86 MAPT (0.32) ALDH1A1KDM4ENPSR1GAARXFP1
SCHEMBL18843129 0.85 HTT (0.32) SMN1; SMN2HTTMAPT
SCHEMBL18843168 0.84 ALDH1A1 (0.34) ALDH1A1KDM4ENPSR1GAARXFP1
SCHEMBL18843137 0.83 LOXL2 (0.33) —
SCHEMBL18843141 0.82 POLB (0.30) —
SCHEMBL18843134 0.81 LOXL2 (0.32) —
SCHEMBL18843126 0.81 HTT (0.32) SMN1; SMN2HTTMAPTMEN1KMT2A

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-20170133605-A1 TETRACENOTHIOPHENE DERIVATIVES WITH ALKOXY-C-ALKYNE SOLUBILISING UNITS AND THEIR APPLICATIONS AS ORGANIC SEMICONDUCTORS CAMBRIDGE DISPLAY TECHNOLOGY LIMITED (GB) 2017-05-11 — — US disclosed
US-20170133605-A1 TETRACENOTHIOPHENE DERIVATIVES WITH ALKOXY-C-ALKYNE SOLUBILISING UNITS AND THEIR APPLICATIONS AS ORGANIC SEMICONDUCTORS CAMBRIDGE DISPLAY TECHNOLOGY LIMITED (GB) 2017-05-11 — — 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-20170133605-A1 TETRACENOTHIOPHENE DERIVATIVES WITH ALKOXY-C-ALKYNE SOLUBILISING UNITS AND THEIR APPLICATIONS AS ORGANIC SEMICONDUCTORS ALK, TPR, TTI2 ALDH1A1 2524/4885KDM4E 1267/4885NPSR1 3965/4885

“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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