SCHEMBL3689696

SCHEMBL3689696

[C]1=C(C2=CCc3ccccc3O2)Oc2ccccc2C1

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
GAA P10253 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL667761 0.73 MAOA (0.45) MAOAMAOBGAANPSR1
SCHEMBL29438383 0.73 MAOA (0.45) MAOAMAOBGAANPSR1
SCHEMBL334750 0.71 MAOA (0.46) MAOAMAOBGAANPSR1
SCHEMBL11339436 0.69 MAOA (0.37) MAOAMAOBGAANPSR1
SCHEMBL311687 0.68 MAOB (0.39) MAOAMAOBGAANPSR1
SCHEMBL9087669 0.67 KDM4E (0.42) MAOAMAOBGAANPSR1
SCHEMBL10512367 0.67 MAOB (0.38) MAOAMAOBGAANPSR1
SCHEMBL7060258 0.67 MAOA (0.38) MAOAMAOBGAANPSR1
SCHEMBL292788 0.66 MAOA (0.50) MAOAMAOBGAANPSR1
SCHEMBL30356272 0.66 MAOA (0.50) MAOAMAOBGAANPSR1

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
EP-1539739-B1 PIPERIDINYL COMPOUNDS THAT SELECTIVELY BIND INTEGRINS JANSSEN PHARMACEUTICA NV (BE) 2010-11-24 EP claimed
US-20040077684-A1 Piperidinyl compounds that selectively bind integrins JANSSEN PHARMACEUTICA, NV (BE) 2004-04-22 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-20040077684-A1 Piperidinyl compounds that selectively bind integrins ITGB3, ITGAV, ITGA2B MAOA 4735/4885MAOB 4570/4885GAA 3354/4885

“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.