SCHEMBL565998

SCHEMBL565998

NCCc1ccc(OCc2cccc(F)c2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAOB P27338 13/20 1.00
TAAR1 Q96RJ0 1/20 0.64
PARP10 Q53GL7 1/20 0.61
NR4A2 P43354 1/20 0.58

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
SCHEMBL992837 0.89 MAOB (1.00) MAOBPARP10NR4A2
SCHEMBL69512 0.88 MAOB (0.78) MAOBTAAR1PARP10NR4A2
Hydrochloric Acid SCHEMBL21313331 0.87 MAOB (1.00) MAOBPARP10NR4A2
SCHEMBL29638127 0.85 MAOB (1.00) MAOBPARP10NR4A2
SCHEMBL1379497 0.85 MAOB (1.00) MAOBPARP10NR4A2
SCHEMBL4425903 0.84 MAOB (0.73) MAOBPARP10NR4A2
Hydrochloric Acid SCHEMBL2197705 0.84 MAOB (1.00) MAOBPARP10NR4A2
SCHEMBL27521276 0.83 MAOB (0.77) MAOBPARP10NR4A2
SCHEMBL13886606 0.82 MAOB (0.96) MAOBTAAR1
SCHEMBL9627930 0.81 MAOB (0.68) MAOBPARP10NR4A2

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-9181182-B2 S1P receptors modulators AKAAL PHARMA PTY LTD (AU) 2015-11-10 US disclosed
US-20120034270-A1 S1P Receptors Modulators AKAAL PHARMA PTY LTD (AU) 2012-02-09 US disclosed
EP-2344446-A1 S1P RECEPTORS MODULATORS Akaal Pharma Pty Ltd (AU) 2011-07-20 EP disclosed
WO-2010042998-A1 S1P RECEPTORS MODULATORS AKAAL PHARMA PTY LTD (AU) 2010-04-22 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 (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-20120034270-A1 S1P Receptors Modulators S1PR1, S1PR5, S1PR3 MAOB 4070/4885TAAR1 526/4885PARP10 385/4885

“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.