SCHEMBL20115916

SCHEMBL20115916

O=C(NI)NCCCOI

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 5/20 0.35
TSHR P16473 2/20 0.35
EPHX2 P34913 2/20 0.35
PRMT1 Q99873 1/20 0.34
POLB P06746 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
ALDH1A1 P00352 2/20 0.33
ACHE P22303 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MAPT P10636 1/20 0.32
HSD17B10 Q99714 1/20 0.32
RECQL P46063 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL20215150 0.81 TSHR (0.57) TSHREPHX2POLBTDP1ALDH1A1
SCHEMBL8165445 0.76
SCHEMBL22560036 0.73
SCHEMBL17082658 0.71
SCHEMBL23173039 0.70 KDM4E (0.39) EPHX1PRMT1ALDH1A1ACHESMN1; SMN2
SCHEMBL22821614 0.70
SCHEMBL23709912 0.70 EPHX1 (0.75) EPHX1EPHX2ALDH1A1
SCHEMBL19347982 0.69
SCHEMBL23059640 0.68 ALDH1A1 (0.38) EPHX1TSHREPHX2ALDH1A1SMN1; SMN2
SCHEMBL18892528 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180117162-A1 VITAMIN FUNCTIONALIZED GEL-FORMING BLOCK COPOLYMERS FOR BIOMEDICAL APPLICATIONS INTERNATIONAL BUSINESS MACHINES CORPORATION 2018-05-03 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-20180117162-A1 VITAMIN FUNCTIONALIZED GEL-FORMING BLOCK COPOLYMERS FOR BIOMEDICAL APPLICATIONS VDR, PROC, CYP24A1 EPHX1 431/4885TSHR 4141/4885EPHX2 53/4885

“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.