SCHEMBL18843130

SCHEMBL18843130

COC(C)(C)C#Cc1c2cc3ccccc3cc2c(C#CC(C)(C)OC)c2cc3sc(S(=O)(=O)c4cccc(C)c4)cc3cc12

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.34
▸ AKR1B1 P15121 1/20 0.32
▸ CA2 P00918 2/20 0.32
▸ GRM4 Q14833 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
SCHEMBL18843125 0.90 ALDH1A1 (0.33) PKMAKR1B1CA2
SCHEMBL18843113 0.85 HSD11B1 (0.34) CA2
SCHEMBL18843136 0.84 GPR119 (0.31) —
SCHEMBL18843155 0.84 HTR6 (0.31) —
SCHEMBL18843168 0.81 ALDH1A1 (0.34) AKR1B1
SCHEMBL18843138 0.80 ALDH1A1 (0.32) —
SCHEMBL18843132 0.79 MAPT (0.32) —
SCHEMBL18843126 0.78 HTT (0.32) —
SCHEMBL18843129 0.78 HTT (0.32) —
SCHEMBL18843167 0.77 ESR1 (0.40) CA2

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 PKM 2761/4885AKR1B1 3249/4885CA2 2273/4885

“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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