SCHEMBL2858147

SCHEMBL2858147

CCC[P+](CCC)(CCC)CCC.C[O-]

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 2/20 0.42
CYP3A4 P08684 2/20 0.32
TSHR P16473 2/20 0.32
NFKB1 P19838 2/20 0.32
NPSR1 Q6W5P4 2/20 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
Hydrochloric Acid SCHEMBL933212 0.87 DNM1 (0.44) DNM1TSHR
Bromide SCHEMBL808510 0.87 DNM1 (0.50) DNM1TSHR
Iodide SCHEMBL5086869 0.87 DNM1 (0.44) DNM1TSHR
Bromide SCHEMBL302452 0.87 DNM1 (0.50) DNM1TSHR
Water SCHEMBL1067074 0.87 DNM1 (0.44) DNM1TSHR
SCHEMBL10386415 0.87 DNM1 (0.44) DNM1TSHR
Fluoride Ion SCHEMBL942194 0.87 DNM1 (0.44) DNM1TSHR
Formic Acid SCHEMBL1031759 0.79 DNM1 (0.35) DNM1CYP3A4TSHRNFKB1NPSR1
Water SCHEMBL31438624 0.79 ALDH1A1 (0.35) DNM1CYP3A4TSHRNFKB1NPSR1
SCHEMBL10385958 0.79 DNM1 (0.35) DNM1CYP3A4TSHRNFKB1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7842843-B2 Mixture containing 1,3-butadiene and process for producing the same KURARAY CO., LTD. (JP) 2010-11-30 US disclosed
US-7728180-B2 Method for producing ethers KURARAY CO., LTD. (JP) 2010-06-01 US disclosed
US-20080262272-A1 Method For Producing Ethers KURARAY CO., LTD. (JP) 2008-10-23 US disclosed
EP-1795578-A2 Mixture containing 1, 3-Butadiene and process for producing the same Kuraray Co., Ltd. (JP) 2007-06-13 EP disclosed
US-20070123738-A1 MIXTURE CONTAINING 1,3-BUTADIENE AND PROCESS FOR PRODUCING THE SAME KURARAY CO., LTD (JP) 2007-05-31 US disclosed
EP-1760061-A1 METHOD FOR PRODUCING ETHERS KURARAY CO., LTD. (JP) 2007-03-07 EP 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 (2 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-20070123738-A1 MIXTURE CONTAINING 1,3-BUTADIENE AND PROCESS FOR PRODUCING THE SAME TELO2, MSMO1, HBG1 DNM1 1802/4885CYP3A4 272/4885TSHR 4283/4885
US-20080262272-A1 Method For Producing Ethers TELO2, PDS5A, TERT DNM1 1280/4885CYP3A4 800/4885TSHR 657/4885

“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.