SCHEMBL18843125

SCHEMBL18843125

COC(C)(C)C#Cc1c2cc3ccccc3cc2c(C#CC(C)(C)OC)c2cc3sc(S(=O)(=O)c4ccc(C)cc4)cc3cc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.33
▸ KDM4E B2RXH2 3/20 0.33
▸ HTT P42858 3/20 0.33
▸ NPSR1 Q6W5P4 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ GAA P10253 1/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ AKR1B1 P15121 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ HTR6 P50406 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ MAPT P10636 2/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ MCOLN3 Q8TDD5 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ LMNA P02545 1/20 0.31

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
SCHEMBL18843155 0.93 HTR6 (0.31) HTR6MAPT
SCHEMBL18843113 0.91 HSD11B1 (0.34) CA2
SCHEMBL18843168 0.90 ALDH1A1 (0.34) ALDH1A1KDM4EHTTNPSR1SMN1; SMN2
SCHEMBL18843130 0.90 PKM (0.34) AKR1B1PKMCA2
SCHEMBL18843138 0.89 ALDH1A1 (0.32) ALDH1A1KDM4EHTTNPSR1SMN1; SMN2
SCHEMBL18843136 0.89 GPR119 (0.31) GAA
SCHEMBL18843132 0.89 MAPT (0.32) ALDH1A1KDM4EHTTNPSR1SMN1; SMN2
SCHEMBL18843126 0.87 HTT (0.32) HTTSMN1; SMN2POLBMAPTMEN1
SCHEMBL18843129 0.87 HTT (0.32) HTTSMN1; SMN2MAPT
SCHEMBL18843141 0.84 POLB (0.30) POLB

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 1267/4885HTT 1897/4885

“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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