SCHEMBL463692

SCHEMBL463692

CCCCOC(=O)c1ccc(OC(=O)ON2C(=O)CCC2=O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.52
LMNA P02545 2/20 0.52
CYP1A2 P05177 2/20 0.52
TSHR P16473 2/20 0.52
CYP2C19 P33261 2/20 0.52
CYP2D6 P10635 1/20 0.52
MAPK1 P28482 1/20 0.52
NR1H2 P55055 1/20 0.52
RNASEL Q05823 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
PDE4D Q08499 1/20 0.51
HPGD P15428 2/20 0.50
RECQL P46063 1/20 0.50
STS P08842 7/20 0.49
MAPT P10636 5/20 0.46
ALDH1A1 P00352 2/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46

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
SCHEMBL463200 0.83 KMT2A (0.44) LMNACYP1A2TSHRCYP2D6SMN1; SMN2
SCHEMBL14755860 0.80 MAPK1 (0.46) LMNACYP1A2TSHRCYP2C19MAPK1
SCHEMBL18079677 0.80 KMT2A (0.45) ESR1CYP2D6SMN1; SMN2RECQLMAPT
SCHEMBL878923 0.80 HPGD (0.52) TSHRMAPK1SMN1; SMN2HPGDMAPT
SCHEMBL12414036 0.80 ALDH1A1 (0.43) LMNACYP2C19SMN1; SMN2HPGDMAPT
SCHEMBL13541624 0.79 ALDH1A1 (0.42) ESR1LMNACYP1A2TSHRCYP2C19
SCHEMBL406877 0.79 KMT2A (0.52) ESR1LMNATSHRSMN1; SMN2HPGD
SCHEMBL2607958 0.78 GLA (0.46) ESR1LMNATSHRSMN1; SMN2HPGD
SCHEMBL10344348 0.78 LMNA (0.72) ESR1LMNACYP1A2TSHRCYP2C19
SCHEMBL14755842 0.78 SRD5A1 (0.47) SMN1; SMN2HPGDMAPTALDH1A1KMT2A

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 ESR1 4218/4885LMNA 3877/4885CYP1A2 103/4885

“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.