SCHEMBL13311344

SCHEMBL13311344

C[C@H](OC(=O)[C@H](Cc1ccccc1)OC1CCCCO1)C(=O)OCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.42
SLC6A3 Q01959 2/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
ITGB1 P05556 1/20 0.37
ITGA4 P13612 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
CTSB P07858 1/20 0.35

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
SCHEMBL13311347 0.89 CYP1A2 (0.44) CYP1A2SLC6A3CYP3A4CYP2C9CYP2C19
SCHEMBL3881607 0.83 SLC6A3 (0.51) SLC6A3ITGB1ITGA4
SCHEMBL13311342 0.81 SRR (0.48) ITGB1ITGA4
SCHEMBL6487486 0.81 SRR (0.48) ITGB1ITGA4
SCHEMBL11199439 0.78 CYP1A2 (0.40) CYP1A2SLC6A3CYP3A4CYP2C9CYP2C19
SCHEMBL16359763 0.77 CYP1A2 (0.47) CYP1A2SLC6A3CYP3A4CYP2C9CYP2C19
SCHEMBL7050550 0.75 SIGMAR1 (0.39) CYP1A2SLC6A3ITGB1ITGA4SIGMAR1
Cyclohexylamine SCHEMBL8637515 0.75 SRR (0.45) ITGB1ITGA4
SCHEMBL15879424 0.73 CYP1A2 (0.53) CYP1A2CYP3A4CTSB
SCHEMBL16912734 0.72 CYP1A2 (0.48) CYP1A2SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8513188-B2 Formulations comprising cyclic compounds CAPSUGEL BELGIUM (BE) 2013-08-20 US disclosed
US-8513188-B2 Formulations comprising cyclic compounds CAPSUGEL BELGIUM (BE) 2013-08-20 US disclosed
US-20100137188-A1 FORMULATIONS COMPRISING CYCLIC COMPOUNDS CAPSUGEL BELGIUM (BE) 2010-06-03 US disclosed
US-20100137188-A1 FORMULATIONS COMPRISING CYCLIC COMPOUNDS CAPSUGEL BELGIUM (BE) 2010-06-03 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-20100137188-A1 FORMULATIONS COMPRISING CYCLIC COMPOUNDS SLC2A1, SLC2A4, SLC2A9 CYP1A2 3276/4885SLC6A3 400/4885CYP3A4 3013/4885

“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.