SCHEMBL3544757

SCHEMBL3544757

[CH2]CCC(CCC(C)c1ccccc1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.48
TAAR1 Q96RJ0 3/20 0.45
TRPA1 O75762 4/20 0.42
AOC3 Q16853 2/20 0.41

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
SCHEMBL28496455 0.86 POLB (0.41) RIPK1TAAR1TRPA1AOC3
SCHEMBL95181 0.86 RIPK1 (0.57) RIPK1TAAR1TRPA1AOC3
SCHEMBL4354924 0.85 HRH1 (0.42) TAAR1
SCHEMBL6801631 0.85 TRPA1 (0.50) RIPK1TAAR1TRPA1AOC3
SCHEMBL6280516 0.81 RIPK1 (0.67) RIPK1TAAR1TRPA1AOC3
SCHEMBL29678203 0.80 TRPA1 (0.53) RIPK1TAAR1TRPA1AOC3
SCHEMBL3375650 0.80 AOC3 (0.42) RIPK1TAAR1AOC3
Lithium SCHEMBL30777534 0.79 RIPK1 (0.64) RIPK1TAAR1TRPA1AOC3
SCHEMBL5213988 0.79 RIPK1 (0.64) RIPK1TAAR1TRPA1AOC3
SCHEMBL8124007 0.78 TRPA1 (0.39) RIPK1TAAR1TRPA1AOC3

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-7737275-B2 Method for producing 3-phenyl(thio)uracils and 3-phenyldithiouracils BASF AKTIENGESELLSCHAFT (DE) 2010-06-15 US disclosed
US-20060293520-A1 Mehtod for producing 3-phenyl(thio)uracils and 3-phenyldithiouracils BASF AKTIENGESELLSCHAFT (DE) 2006-12-28 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-20060293520-A1 Mehtod for producing 3-phenyl(thio)uracils and 3-phenyldithiouracils HPRT1, TH, METTL3 RIPK1 3993/4885TAAR1 396/4885TRPA1 3735/4885

“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.