SCHEMBL7931998

SCHEMBL7931998

CCCCCCC(O)Cc1ccc(C(N)CC(O)CCO)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1E P49674 1/20 0.44
SLC2A1 P11166 1/20 0.41
SPHK1 Q9NYA1 6/20 0.38
SPHK2 Q9NRA0 1/20 0.38
S1PR2 O95136 3/20 0.36
S1PR1 P21453 3/20 0.36
S1PR3 Q99500 3/20 0.36
S1PR4 O95977 2/20 0.36
HTR1A P08908 1/20 0.36
CYP2D6 P10635 2/20 0.36
GMNN O75496 1/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
THPO P40225 1/20 0.36
MTOR P42345 1/20 0.36
BLM P54132 1/20 0.36
KDM4E B2RXH2 1/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36

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
SCHEMBL7928552 0.86 SLC2A1 (0.44) CSNK1ESLC2A1SPHK1SPHK2S1PR2
Hydrochloric Acid SCHEMBL7934412 0.85 SPHK1 (0.50) SPHK1SPHK2S1PR2S1PR1S1PR3
SCHEMBL10495610 0.73 PSMD14 (0.52) SPHK1CYP2D6GMNNLMNAPOLB
SCHEMBL8501636 0.72 SPHK1 (0.50) SPHK1SPHK2S1PR2S1PR1S1PR3
SCHEMBL7932000 0.72 SPHK1 (0.58) CSNK1ESPHK1S1PR2S1PR1S1PR3
SCHEMBL8503490 0.72 SPHK1 (0.50) SPHK1SPHK2S1PR2S1PR1S1PR3
SCHEMBL8501713 0.72 SPHK1 (0.50) SPHK1SPHK2S1PR2S1PR1S1PR3
SCHEMBL10497065 0.72 CSNK1E (0.66) CSNK1EMMP2
SCHEMBL1168932 0.72 CSNK1E (0.66) CSNK1EMMP2
SCHEMBL10497215 0.72 CSNK1E (0.66) CSNK1EMMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6284915-B2 Process for preparing 2-amino malonic acid derivatives and 2-amino-1,3-propanediol derivatives, and intermediates for preparing the same TAITO CO., LTD (JP) 2001-09-04 US disclosed
US-20010008945-A1 PROCESS FOR PREPARING 2-AMINO MALONIC ACID DERIVATIVES AND 2-AMINO-1,3 - PROPANEDIOL DERIVATIVES, AND INTERMEDIATES FOR PREPARING THE SAME MITSUBISHI PHARMA CORPORATION (JP) 2001-07-19 US disclosed
EP-0989113-A1 PROCESSES FOR PRODUCING 2-AMINOMALONIC ACID DERIVATIVES AND 2-AMINO-1,3-PROPANEDIOL DERIVATIVES, AND INTERMEDIATES FOR PRODUCING THE DERIVATIVES TAITO CO., LTD. (JP) 2000-03-29 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 (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-20010008945-A1 PROCESS FOR PREPARING 2-AMINO MALONIC ACID DERIVATIVES AND 2-AMINO-1,3 - PROPANEDIOL DERIVATIVES, AND INTERMEDIATES FOR PREPARING THE SAME BCAT2, BCAT1, BCKDK CSNK1E 2415/4885SLC2A1 675/4885SPHK1 2154/4885

“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.