SCHEMBL13133104

SCHEMBL13133104

COc1cc(C(C)C)ccc1-c1cc2cc[nH]c2cc1C(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 1/20 0.43
▸ TLR7 Q9NYK1 1/20 0.43
▸ MEN1 O00255 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ TUBB4A P04350 1/20 0.33
▸ TUBB P07437 1/20 0.33
▸ TUBA3C P0DPH7 1/20 0.33
▸ TUBA1B P68363 1/20 0.33
▸ TUBA4A P68366 1/20 0.33
▸ TUBB4B P68371 1/20 0.33
▸ TUBB3 Q13509 1/20 0.33
▸ TUBB2A Q13885 1/20 0.33
▸ TUBB8 Q3ZCM7 1/20 0.33
▸ TUBA3E Q6PEY2 1/20 0.33
▸ TUBA1A Q71U36 1/20 0.33
▸ TUBA1C Q9BQE3 1/20 0.33

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 0.85 TLR8 (0.45) TLR8TLR7MEN1POLBMAPK1
SCHEMBL8957498 0.84 TLR8 (0.44) TLR8TLR7MEN1POLBMAPK1
SCHEMBL8957513 0.82 ALDH1A1 (0.44) TLR8TLR7MEN1POLBMAPK1
SCHEMBL13168982 0.81 TLR8 (0.42) TLR8TLR7MEN1POLBMAPK1
SCHEMBL8957483 0.80 PTGS2 (0.41) TLR8TLR7MEN1POLBMAPK1
SCHEMBL8957486 0.76 TLR8 (0.44) TLR8TLR7MEN1POLBMAPK1
SCHEMBL8957508 0.72 TRPA1 (0.40) ALDH1A1KDM4E
SCHEMBL10267397 0.71 HDAC4 (0.44) MEN1POLBKMT2AALDH1A1HDAC4
SCHEMBL22792660 0.70 GPR84 (0.40) MEN1POLBMAPK1KMT2APTGS2
SCHEMBL8957480 0.69 GPR84 (0.48) MEN1POLBMAPK1KMT2AIMPDH2

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-20140155626-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-06-05 — — US disclosed
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 (2 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 4393/4885MEN1 4831/4885
US-20140155626-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 TLR8 3616/4885TLR7 4631/4885MEN1 4698/4885

“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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