SCHEMBL13168982

SCHEMBL13168982

CCc1cc2[nH]ccc2cc1-c1ccc(C(C)C)cc1OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 1/20 0.42
▸ TLR7 Q9NYK1 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ MEN1 O00255 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ TUBB4A P04350 1/20 0.35
▸ TUBB P07437 1/20 0.35
▸ TUBA3C P0DPH7 1/20 0.35
▸ TUBA1B P68363 1/20 0.35
▸ TUBA4A P68366 1/20 0.35
▸ TUBB4B P68371 1/20 0.35
▸ TUBB3 Q13509 1/20 0.35
▸ TUBB2A Q13885 1/20 0.35
▸ TUBB8 Q3ZCM7 1/20 0.35
▸ TUBA3E Q6PEY2 1/20 0.35
▸ TUBA1A Q71U36 1/20 0.35
▸ TUBA1C Q9BQE3 1/20 0.35

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
SCHEMBL15765663 0.84 TLR8 (0.45) TLR8TLR7KDM4EALDH1A1MEN1
SCHEMBL9001655 0.82 TLR8 (0.44) TLR8TLR7KDM4EMEN1POLB
SCHEMBL13133104 0.81 TLR8 (0.43) TLR8TLR7KDM4EALDH1A1MEN1
SCHEMBL13168981 0.81 CTNNB1 (0.45) TLR8TLR7KDM4EALDH1A1MEN1
SCHEMBL9001700 0.79 PTGS2 (0.44) TLR8TLR7HDAC8PTGS2TSHR
SCHEMBL12824777 0.76 TLR8 (0.44) TLR8TLR7KDM4EALDH1A1MEN1
SCHEMBL10289742 0.73 MAPT (0.45) KDM4EALDH1A1CTNNB1WNT3AMAPT
SCHEMBL11951565 0.70 TAAR1 (0.49) ALDH1A1POLBMAPK1HDAC4HDAC8
SCHEMBL22433008 0.70 TAS1R3 (0.40) MEN1POLBMAPK1KMT2APTGS2
SCHEMBL10289632 0.68 GPR84 (0.48) KDM4EALDH1A1MEN1POLBMAPK1

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-20100249180-A1 ISOTHIAZOLOPYRIDINONES USEFUL FOR THE TREATMENT OF (INTER ALIA) CYSTIC FIBROSIS VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-09-30 — — 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-20100249180-A1 ISOTHIAZOLOPYRIDINONES USEFUL FOR THE TREATMENT OF (INTER ALIA) CYSTIC FIBROSIS CFTR, ABCB1, ABCC8 TLR8 2777/4885TLR7 4393/4885KDM4E 4052/4885

“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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