SCHEMBL15765663

SCHEMBL15765663

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 1/20 0.45
▸ TLR7 Q9NYK1 1/20 0.45
▸ LMNA P02545 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ AKR1C3 P42330 2/20 0.37
▸ AKR1C2 P52895 2/20 0.37
▸ PRKCQ Q04759 1/20 0.35
▸ PRKCD Q05655 1/20 0.35
▸ TUBB4A P04350 1/20 0.34
▸ TUBB P07437 1/20 0.34
▸ TUBA3C P0DPH7 1/20 0.34
▸ TUBA1B P68363 1/20 0.34
▸ TUBA4A P68366 1/20 0.34
▸ TUBB4B P68371 1/20 0.34
▸ TUBB3 Q13509 1/20 0.34

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
SCHEMBL13133104 0.85 TLR8 (0.43) TLR8TLR7KDM4EALDH1A1MEN1
SCHEMBL13168982 0.84 TLR8 (0.42) TLR8TLR7KDM4EALDH1A1MEN1
SCHEMBL13285077 0.81 TLR8 (0.47) TLR8TLR7MEN1KMT2APOLB
SCHEMBL13285076 0.79 ALDH1A1 (0.48) TLR8TLR7KDM4EALDH1A1MEN1
SCHEMBL14823127 0.77 PTGS2 (0.43) TLR8TLR7LMNAMEN1KMT2A
SCHEMBL15074717 0.73 TLR8 (0.47) TLR8TLR7KDM4EALDH1A1MEN1
SCHEMBL187054 0.73 TLR8 (0.55) TLR8TLR7KDM4EMEN1KMT2A
SCHEMBL187674 0.70 MEN1 (0.52) TLR8TLR7KDM4EMEN1KMT2A
SCHEMBL84922 0.69 PTGS2 (0.53) PTGS2
SCHEMBL30548028 0.69 PTGS2 (0.53) PTGS2

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-20140155626-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-06-05 — — 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-20140155626-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 TLR8 3616/4885TLR7 4631/4885LMNA 3024/4885

“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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