SCHEMBL3113301

SCHEMBL3113301

[CH2]CCOCCc1cccc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2D6 P10635 1/20 0.42
MTNR1A P48039 2/20 0.41
NQO2 P16083 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CDYL Q9Y232 1/20 0.40
ACP3 P15309 1/20 0.40
KCNA5 P22460 1/20 0.39
SCN5A Q14524 1/20 0.39

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
SCHEMBL586305 0.91 CYP1A2 (0.52) CYP1A2CYP2C19CYP2C9CYP2D6MTNR1A
SCHEMBL5015032 0.90 GPR84 (0.42) CYP1A2CYP2C19CYP2C9CYP2D6MTNR1A
SCHEMBL6420346 0.84 CYP1A2 (0.46) CYP1A2CYP2C19CYP2C9CYP2D6TDP1
SCHEMBL11052717 0.82 CYP1A2 (0.46) CYP1A2CYP2C19CYP2C9CYP2D6MTNR1A
SCHEMBL4521520 0.82 MTNR1A (0.45) CYP1A2CYP2C19CYP2C9CYP2D6MTNR1A
SCHEMBL2092694 0.81 SIGMAR1 (0.42) CYP1A2CYP2C19CYP2C9CYP2D6MTNR1A
SCHEMBL129188 0.81 CYP1A2 (0.54) CYP1A2CYP2C19CYP2C9CYP2D6MTNR1A
SCHEMBL11051055 0.80 CYP1A2 (0.47) CYP1A2CYP2C19CYP2C9CYP2D6MTNR1A
SCHEMBL3779748 0.79 CYP1A2 (0.48) CYP1A2CYP2C19CYP2C9CYP2D6MTNR1A
SCHEMBL14814398 0.79 CNR1 (0.43) CYP1A2CYP2C19CYP2C9MTNR1ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100179218-A1 OCULOSELECTIVE DRUGS AND PRODRUGS QLT INC. (CA) 2010-07-15 US disclosed
US-7678829-B2 Oculoselective drugs and prodrugs QLT INC. (CA) 2010-03-16 US disclosed
US-20070254950-A1 Oculoselective Drugs and Prodrugs OTHERA PHARMACEUTICALS, INC. (US) 2007-11-01 US disclosed
EP-1750693-A1 OCULOSELECTIVE DRUGS AND PRODRUGS Othera Pharmaceuticals, Inc. (US) 2007-02-14 EP disclosed
US-20060019955-A1 Oculoselective drugs and prodrugs OTHERA PHARMACEUTICALS, INC. (US) 2006-01-26 US disclosed
WO-2005115375-A1 OCULOSELECTIVE DRUGS AND PRODRUGS OTHERA PHARMACEUTICALS, INC. (US) 2005-12-08 WO 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 (3 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-20060019955-A1 Oculoselective drugs and prodrugs HCAR3, CNKSR1, HCRTR1 CYP1A2 272/4885CYP2C19 447/4885CYP2C9 169/4885
US-20100179218-A1 OCULOSELECTIVE DRUGS AND PRODRUGS ALDH1A2, CYP2D6, PDE6C CYP1A2 31/4885CYP2C19 5/4885CYP2C9 12/4885
US-20070254950-A1 Oculoselective Drugs and Prodrugs CNKSR1, HCAR3, HCRTR1 CYP1A2 213/4885CYP2C19 285/4885CYP2C9 87/4885

“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.