SCHEMBL4856635

SCHEMBL4856635

CCCCCCCCn1c(-c2cccc3ccccc23)cc2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 14/20 0.49
▸ CNR1 P21554 5/20 0.49
▸ SLC6A3 Q01959 1/20 0.47
▸ TLR8 Q9NR97 4/20 0.46
▸ BRD4 O60885 1/20 0.43
▸ CREBBP Q92793 1/20 0.43
▸ TP53 P04637 1/20 0.42

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
SCHEMBL30641152 0.86 CNR2 (0.42) CNR2CNR1SLC6A3BRD4CREBBP
SCHEMBL17788575 0.83 CNR2 (0.50) CNR2CNR1
SCHEMBL4847027 0.80 ALDH1A1 (0.58) CNR2TLR8TP53
SCHEMBL10413633 0.80 ALDH1A1 (0.58) CNR2TLR8TP53
SCHEMBL11664571 0.80 ALDH1A1 (0.58) CNR2TLR8TP53
SCHEMBL8506252 0.79 CNR2 (0.44) CNR2CNR1SLC6A3TLR8
SCHEMBL11663572 0.79 ALDH1A1 (0.60) CNR2CNR1TLR8TP53
SCHEMBL21501948 0.77 KDM4E (0.49) CNR2CNR1SLC6A3TLR8TP53
SCHEMBL4854120 0.77 CNR2 (0.45) CNR2TLR8TP53
SCHEMBL11812516 0.77 TP53 (0.49) CNR2CNR1TLR8TP53

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-7388100-B2 Tertiary amine compounds NISHIO TETSUYA 2008-06-17 — — US disclosed
US-20060145145-A1 Tertiary amine compounds, organic semiconductor devices using the same and organic electroluminescence devices using the same NISHIO TETSUYA 2006-07-06 — — 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-20060145145-A1 Tertiary amine compounds, organic semiconductor devices using the same and organic electroluminescence devices using the same PIEZO1, YES1, SAT1 CNR2 4696/4885CNR1 4163/4885SLC6A3 599/4885

“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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