SCHEMBL462793

SCHEMBL462793

CCCCOCCCOC(=O)ON1C(=O)CCC1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
ATM Q13315 1/20 0.36
ELANE P08246 1/20 0.35
TSHR P16473 5/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
LMNA P02545 3/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
HPGD P15428 3/20 0.34
ESR1 P03372 4/20 0.34
CYP1A2 P05177 2/20 0.33
CYP2C19 P33261 2/20 0.33
CYP2D6 P10635 1/20 0.33
MAPK1 P28482 1/20 0.33
NR1H2 P55055 1/20 0.33
RNASEL Q05823 1/20 0.33
RECQL P46063 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
SCHEMBL12903327 0.94 NAAA (0.40) ALDH1A1TSHRSMN1; SMN2LMNAKMT2A
SCHEMBL463626 0.94 TSHR (0.35) ALDH1A1ATMELANETSHRTDP1
SCHEMBL13541624 0.94 ALDH1A1 (0.42) ALDH1A1ATMELANETSHRTDP1
SCHEMBL13606692 0.91 ALOX12 (0.32) SMN1; SMN2
SCHEMBL2037671 0.89 NAAA (0.42) ALDH1A1TSHRSMN1; SMN2LMNAKMT2A
SCHEMBL5821258 0.88 KMT2A (0.41) ALDH1A1TSHRSMN1; SMN2LMNAKMT2A
SCHEMBL863059 0.88 KMT2A (0.41) ALDH1A1TSHRSMN1; SMN2LMNAKMT2A
SCHEMBL3459424 0.88 KMT2A (0.41) ALDH1A1TSHRSMN1; SMN2LMNAKMT2A
SCHEMBL22919640 0.88 NAAA (0.44) ALDH1A1TSHRSMN1; SMN2LMNAKMT2A
SCHEMBL7278773 0.88 NAAA (0.44) ALDH1A1TSHRSMN1; SMN2LMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012035346-A1 PRODRUGS OF GUANFACINE SHIRE, LLC (US) 2012-03-22 WO disclosed
US-20120065152-A1 PRODRUGS OF GUANFACINE SHIRE LLC (US) 2012-03-15 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-20120065152-A1 PRODRUGS OF GUANFACINE UGT1A6, GDA, UGT1A3 ALDH1A1 270/4885ATM 3696/4885ELANE 3433/4885

“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.