SCHEMBL2869801

SCHEMBL2869801

CCCC[P+](CCCC)(CCCC)CCCC.CC[O-]

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 2/20 0.67
BDKRB2 P30411 1/20 0.39
TSHR P16473 4/20 0.38
ALDH1A1 P00352 3/20 0.38
TDP1 Q9NUW8 1/20 0.38
LMNA P02545 1/20 0.38
CA2 P00918 5/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
CYP3A4 P08684 1/20 0.36
FDPS P14324 1/20 0.36
THRB P10828 1/20 0.35
OPRM1 P35372 1/20 0.35
MAPK1 P28482 1/20 0.35
CA1 P00915 1/20 0.33

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
SCHEMBL2864120 0.90 DNM1 (0.71) DNM1BDKRB2TSHRALDH1A1TDP1
SCHEMBL29496398 0.89 DNM1 (0.80) DNM1BDKRB2TSHRALDH1A1TDP1
SCHEMBL9462860 0.88 DNM1 (0.60) DNM1BDKRB2TSHRALDH1A1TDP1
SCHEMBL3840485 0.87 DNM1 (0.67) DNM1BDKRB2TSHRALDH1A1TDP1
Hydrochloric Acid SCHEMBL23198627 0.86 DNM1 (0.75) DNM1BDKRB2TSHRALDH1A1TDP1
Bromide SCHEMBL126636 0.86 DNM1 (0.81) DNM1BDKRB2TSHRALDH1A1TDP1
Hydrochloric Acid SCHEMBL124627 0.86 DNM1 (0.75) DNM1BDKRB2TSHRALDH1A1TDP1
Bromide SCHEMBL302420 0.86 DNM1 (0.81) DNM1BDKRB2TSHRALDH1A1TDP1
Iodide SCHEMBL187956 0.86 DNM1 (0.75) DNM1BDKRB2TSHRALDH1A1TDP1
SCHEMBL9303471 0.86 DNM1 (0.75) DNM1BDKRB2TSHRALDH1A1TDP1

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 7 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
US-4399272-A COPOLYMERIZING FORMALDEHYDE AND AN ALKYLENE OXIDE OR CYCLIC FORMAL USING A LEWIS ACID AND ANIONIC CATALYST ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1983-08-16 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 (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 1802/4885BDKRB2 2109/4885TSHR 4283/4885
US-20080262272-A1 Method For Producing Ethers TELO2, PDS5A, TERT DNM1 1280/4885BDKRB2 3298/4885TSHR 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.