SCHEMBL21243264

SCHEMBL21243264

CCCCc1ccccc1CCNCCc1ccccc1CCCC

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 4/20 0.55
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ LIPG Q9Y5X9 1/20 0.46
▸ MPO P05164 3/20 0.42
▸ CHRM2 P08172 1/20 0.41
▸ SLC6A4 P31645 1/20 0.40
▸ DRD2 P14416 1/20 0.40
▸ TLR8 Q9NR97 1/20 0.40

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
SCHEMBL29520482 0.86 LIPG (0.56) CYP3A4CYP2D6CYP2C9LIPGTLR8
SCHEMBL245188 0.86 LIPG (0.56) CYP3A4CYP2D6CYP2C9LIPGTLR8
SCHEMBL3070429 0.85 TAAR1 (0.57) SIGMAR1CYP3A4CYP2D6CYP2C9LIPG
Water SCHEMBL28085345 0.84 LIPG (0.54) CYP3A4CYP2D6CYP2C9LIPGTLR8
Ammonia Solution, Strong SCHEMBL28991000 0.84 LIPG (0.54) CYP3A4CYP2D6CYP2C9LIPGTLR8
SCHEMBL29414141 0.84 LIPG (0.54) CYP3A4CYP2D6CYP2C9LIPGTLR8
Hydrogen Sulfide SCHEMBL28851632 0.84 LIPG (0.54) CYP3A4CYP2D6CYP2C9LIPGTLR8
SCHEMBL2049761 0.84 LIPG (0.54) CYP3A4CYP2D6CYP2C9LIPGTLR8
Benzene SCHEMBL3118223 0.84 LIPG (0.54) SIGMAR1CYP3A4CYP2D6CYP2C9LIPG
SCHEMBL8171865 0.83 CYP2D6 (0.46) SIGMAR1CYP3A4CYP2D6CYP2C9LIPG

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-20190248958-A1 PREPARATION METHOD OF OLIGOMER ADDITIVE, OLIGOMER ADDITIVE, AND LITHIUM BATTERY NATIONAL TAIWAN UNIVERSITY OF SCIENCE AND TECHNOLOGY (TW) 2019-08-15 — — 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-20190248958-A1 PREPARATION METHOD OF OLIGOMER ADDITIVE, OLIGOMER ADDITIVE, AND LITHIUM BATTERY PCNA, SCO2, PARG SIGMAR1 3706/4885CYP3A4 3340/4885CYP2D6 4351/4885

“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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