SCHEMBL15713338

SCHEMBL15713338

CCCCCCCCCCCCC(CCCCCCCCCC)CCCN1C(=O)/C(=C2/C(=O)Oc3cc4c(cc32)OC(=O)/C4=C2/C(=O)N(CCCC(CCCCCCCCCC)CCCCCCCCCCCC)c3cc(Br)ccc32)c2ccc(Br)cc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NLRP3 Q96P20 1/20 0.39
▸ CDC25A P30304 10/20 0.37
▸ CES1 P23141 2/20 0.37
▸ ALDH1A1 P00352 3/20 0.35
▸ ALDH2 P05091 1/20 0.35
▸ ALDH3A1 P30838 1/20 0.35
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ LMNA P02545 2/20 0.33
▸ SCN9A Q15858 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL15713521 1.00 NLRP3 (0.39) NLRP3CDC25ACES1ALDH1A1ALDH2
SCHEMBL17162937 1.00 NLRP3 (0.39) NLRP3CDC25ACES1ALDH1A1ALDH2
SCHEMBL17162938 1.00 NLRP3 (0.39) NLRP3CDC25ACES1ALDH1A1ALDH2
SCHEMBL17175262 0.96 CDC25A (0.43) NLRP3CDC25ACES1ALDH1A1ALDH2
SCHEMBL15713335 0.91 NLRP3 (0.34) NLRP3CDC25ACES1
SCHEMBL17162939 0.91 NLRP3 (0.34) NLRP3CDC25ACES1
SCHEMBL16472630 0.90 CDC25A (0.41) NLRP3CDC25ACES1ALDH1A1ALDH2
SCHEMBL16472632 0.90 CDC25A (0.41) NLRP3CDC25ACES1ALDH1A1ALDH2
SCHEMBL17934655 0.90 CDC25A (0.41) NLRP3CDC25ACES1ALDH1A1ALDH2
SCHEMBL15478672 0.90 CDC25A (0.41) NLRP3CDC25ACES1ALDH1A1ALDH2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150295179-A1 MONOMERIC, OLIGOMERIC AND POLYMERIC SEMICONDUCTORS CONTAINING FUSED RINGS AND THEIR DEVICES LI YUNING (US) 2015-10-15 — — US disclosed
US-20150295179-A1 MONOMERIC, OLIGOMERIC AND POLYMERIC SEMICONDUCTORS CONTAINING FUSED RINGS AND THEIR DEVICES LI YUNING (US) 2015-10-15 — — US disclosed
US-20150295179-A1 MONOMERIC, OLIGOMERIC AND POLYMERIC SEMICONDUCTORS CONTAINING FUSED RINGS AND THEIR DEVICES LI YUNING (US) 2015-10-15 — — US disclosed
WO-2014071524-A1 MONOMERIC, OLIGOMERIC AND POLYMERIC SEMICONDUCTORS CONTAINING FUSED RINGS AND THEIR DEVICES LI YUNING (CA) 2014-05-15 — — WO 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-20150295179-A1 MONOMERIC, OLIGOMERIC AND POLYMERIC SEMICONDUCTORS CONTAINING FUSED RINGS AND THEIR DEVICES PICALM, NOD2, CDH1 NLRP3 43/4885CDC25A 1401/4885CES1 4864/4885

“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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