SCHEMBL4893239

SCHEMBL4893239

O=C(CCCCC(=O)ON1C(=O)CCC1=S)OCCO

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.33
MAPK1 P28482 3/20 0.33
MAPT P10636 2/20 0.33
DGKA P23743 1/20 0.33
RECQL P46063 1/20 0.32
ALDH1A1 P00352 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
ALOX12 P18054 1/20 0.30

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
SCHEMBL4902271 0.97 MGLL (0.33) MGLLMAPK1MAPTRECQLALDH1A1
SCHEMBL4908861 0.94
SCHEMBL22712661 0.90 MGLL (0.37) MGLLMAPK1MAPTDGKAKMT2A
SCHEMBL28342168 0.88 DGKA (0.40) MGLLDGKAALDH1A1KMT2ASMN1; SMN2
SCHEMBL28192296 0.88 DGKA (0.40) MGLLDGKAALDH1A1KMT2ASMN1; SMN2
SCHEMBL310052 0.87 MGLL (0.37) MGLLMAPK1MAPTDGKARECQL
SCHEMBL28353477 0.87 SMN1; SMN2 (0.38) ALDH1A1KMT2ASMN1; SMN2
SCHEMBL30393585 0.85 SMN1; SMN2 (0.37) ALDH1A1KMT2ASMN1; SMN2
Ethylene Glycol SCHEMBL4893242 0.84 KMT2A (0.37) KMT2ASMN1; SMN2
SCHEMBL1869815 0.84 ADRA2A (0.33) MGLLMAPTALOX12

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-20080159975-A1 Hair treatment composition, hair treatment agent and method for treating hair by using the same SUNBIO, INC. (KR) 2008-07-03 US claimed
EP-1938795-A2 Hair treatment composition, hair treatment agent and method for treating hair by using the same Sunbio, Inc. (KR) 2008-07-02 EP claimed
US-20080159975-A1 Hair treatment composition, hair treatment agent and method for treating hair by using the same SUNBIO, INC. (KR) 2008-07-03 US disclosed
EP-1938795-A2 Hair treatment composition, hair treatment agent and method for treating hair by using the same Sunbio, Inc. (KR) 2008-07-02 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-20080159975-A1 Hair treatment composition, hair treatment agent and method for treating hair by using the same KRT18, CUTA, KRTCAP2 MGLL 1682/4885MAPK1 3218/4885MAPT 470/4885

“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.