SCHEMBL14095232

SCHEMBL14095232

O=CCCc1nc(-c2ccccc2O)co1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 2/20 0.37
HTR2B P41595 2/20 0.36
CNR2 P34972 1/20 0.35
CASP3 P42574 4/20 0.33
SENP8 Q96LD8 4/20 0.33
SENP7 Q9BQF6 4/20 0.33
SENP6 Q9GZR1 4/20 0.33
SMN1; SMN2 Q16637 4/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
LMNA P02545 2/20 0.33
MAPT P10636 2/20 0.33
RAB9A P51151 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
MAPK10 P53779 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
IDO1 P14902 1/20 0.33
GSTO1 P78417 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
SCHEMBL13478077 0.91 PDE4B (0.35) PDE4BHTR2BCNR2CASP3SENP8
SCHEMBL14077224 0.80 HPGD (0.47) CNR2LMNACYP2C19HPGDKDM4E
SCHEMBL15303999 0.78 TLR8 (0.45) CNR2SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL14077225 0.78 ALDH1A1 (0.46) CNR2SMN1; SMN2MAPTCYP1A2CYP2C19
SCHEMBL14077222 0.77 TLR8 (0.47) CNR2SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL3046300 0.77 RXRA (0.46) CNR2SMN1; SMN2MAPTHPGDALDH1A1
SCHEMBL3043543 0.76 RXRA (0.45) CNR2SMN1; SMN2MAPTHPGDALDH1A1
SCHEMBL3043550 0.76 RXRA (0.45) CNR2SMN1; SMN2MAPTHPGDALDH1A1
SCHEMBL3043546 0.75 IKBKB (0.40) PDE4BCNR2IKBKB
SCHEMBL9440928 0.71 LTA4H (0.42) SMN1; SMN2MAPTKDM4EALDH1A1

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-20080214448-A1 Compounds, Methods and Formulations for the Oral Delivery of a Glucagon-Like Peptide (Glp)-1 Compound or a Melanocortin-4 Receptor (Mc4) Agonist Peptide EMISPHERE TECHNOLOGIES INC. (US) 2008-09-04 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-20080214448-A1 Compounds, Methods and Formulations for the Oral Delivery of a Glucagon-Like Peptide (Glp)-1 Compound or a Melanocortin-4 Receptor (Mc4) Agonist Peptide MC4R, GLP1R, MC3R PDE4B 384/4885HTR2B 281/4885CNR2 484/4885

“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.