SCHEMBL93300

SCHEMBL93300

O=C(OCc1ccccc1)c1cc2ccc(OCc3ccccc3)cc2oc1=O

nearest known ligand 0.85

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAOB P27338 14/20 0.85
SLC16A3 O15427 3/20 0.80
MAOA P21397 6/20 0.69
CA12 O43570 1/20 0.63
CA1 P00915 1/20 0.63
CA2 P00918 1/20 0.63
CA4 P22748 1/20 0.63
CA5A P35218 1/20 0.63
CA7 P43166 1/20 0.63
CA5B Q9Y2D0 1/20 0.63

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
SCHEMBL22148003 0.92 MAOB (1.00) MAOBSLC16A3MAOACA12CA1
SCHEMBL93418 0.89 MAOB (0.80) MAOBSLC16A3MAOA
SCHEMBL93260 0.89 SLC16A3 (1.00) MAOBSLC16A3MAOACA12CA1
SCHEMBL30023219 0.87 SLC16A3 (0.82) MAOBSLC16A3MAOACA12CA1
SCHEMBL28295864 0.86 MIF (0.72) MAOBSLC16A3MAOA
SCHEMBL3366496 0.85 POLB (0.71) MAOBSLC16A3CA12CA1CA4
SCHEMBL3589538 0.83 MAOB (0.84) MAOBSLC16A3MAOACA12CA1
SCHEMBL2910106 0.81 SLC16A3 (0.64) MAOBSLC16A3
SCHEMBL4758088 0.80 SLC16A3 (0.81) MAOBSLC16A3MAOACA12CA1
SCHEMBL10533969 0.79 MAOB (0.77) MAOBSLC16A3MAOACA12CA1

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
EP-2611912-B1 NOVEL MONOOXYGENASE VARIANTS BRAIN BIOTECHNOLOGY RES & INFORMATION NETWORK AG (DE) 2016-11-02 EP disclosed
EP-2611912-B1 NOVEL MONOOXYGENASE VARIANTS BRAIN BIOTECHNOLOGY RES & INFORMATION NETWORK AG (DE) 2016-11-02 EP disclosed
US-20160115146-A1 3-CARBOXY SUBSTITUTED COUMARIN DERIVATIVES WITH A POTENTIAL UTILITY FOR THE TREATMENT OF CANCER DISEASES CISTIM (BE) 2016-04-28 US disclosed
US-20160115146-A1 3-CARBOXY SUBSTITUTED COUMARIN DERIVATIVES WITH A POTENTIAL UTILITY FOR THE TREATMENT OF CANCER DISEASES CISTIM (BE) 2016-04-28 US disclosed
EP-2426198-A1 Cytochrome P450 monooxygenase variants B.R.A.I.N. Biotechnology Research And Information Network AG (DE) 2012-03-07 EP disclosed
EP-2426198-A1 Cytochrome P450 monooxygenase variants B.R.A.I.N. Biotechnology Research And Information Network AG (DE) 2012-03-07 EP 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-20160115146-A1 3-CARBOXY SUBSTITUTED COUMARIN DERIVATIVES WITH A POTENTIAL UTILITY FOR THE TREATMENT OF CANCER DISEASES SLC16A3, SLC16A1, SLC16A8 MAOB 3418/4885SLC16A3 1/4885MAOA 3542/4885

“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.