SCHEMBL6490749

SCHEMBL6490749

O=C(c1ccccc1)c1cc2cc(O)c(O)cc2oc1=O

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.72
MAOA P21397 3/20 0.72
ALDH1A1 P00352 3/20 0.72
MIF P14174 1/20 0.72
HPGD P15428 1/20 0.72
RAB9A P51151 2/20 0.61
KDM4E B2RXH2 1/20 0.61
NPC1 O15118 1/20 0.61
POLB P06746 1/20 0.61
GPR35 Q9HC97 6/20 0.59
SMN1; SMN2 Q16637 1/20 0.57
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
PKM P14618 2/20 0.50
LMNA P02545 1/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA3 P07451 1/20 0.50
TSHR P16473 1/20 0.50
CA4 P22748 1/20 0.50

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
SCHEMBL2471214 0.84 ALDH1A1 (1.00) MAOBMAOAALDH1A1MIFHPGD
SCHEMBL11319226 0.84 MAOA (1.00) MAOBMAOAALDH1A1MIFHPGD
SCHEMBL51507 0.83 MAOB (0.73) MAOBMAOAALDH1A1MIFHPGD
SCHEMBL6832346 0.82 MAOB (0.76) MAOBMAOAALDH1A1MIFHPGD
SCHEMBL980268 0.80 GPR35 (0.76) MAOBMAOAALDH1A1KDM4EGPR35
SCHEMBL29628919 0.80 GPR35 (0.76) MAOBMAOAALDH1A1KDM4EGPR35
SCHEMBL1711081 0.79 MAOB (0.72) MAOBMAOAALDH1A1MIFHPGD
SCHEMBL2038036 0.79 MAOA (0.72) MAOBMAOAALDH1A1MIFHPGD
SCHEMBL52086 0.79 MAOB (0.72) MAOBMAOAALDH1A1MIFHPGD
SCHEMBL20079506 0.79 ALDH1A1 (0.72) MAOBMAOAALDH1A1MIFHPGD

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-6951870-B2 Coumarin derivatives with COMT inhibiting activity ORION CORPORATION (FI) 2005-10-04 US disclosed
US-20040110750-A9 Coumarin derivatives with comt inhibiting activity ORION CORPORATION (FI) 2004-06-10 US disclosed
EP-1301503-B1 COUMARIN DERIVATIVES WITH COMT INHIBITING ACTIVITY ORION CORP (FI) 2004-02-25 EP disclosed
US-20030186975-A1 Coumarin derivatives with comt inhibiting activity PYSTYNEN JARMO (FI) 2003-10-02 US disclosed
EP-1301503-A1 COUMARIN DERIVATIVES WITH COMT INHIBITING ACTIVITY ORION CORPORATION (FI) 2003-04-16 EP disclosed
WO-2002002548-A1 COUMARIN DERIVATIVES WITH COMT INHIBITING ACTIVITY ORION CORPORATION (FI) 2002-01-10 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 (2 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-20040110750-A9 Coumarin derivatives with comt inhibiting activity COMT, CYP1A1, CYP2D6 MAOB 58/4885MAOA 53/4885ALDH1A1 85/4885
US-20030186975-A1 Coumarin derivatives with comt inhibiting activity COMT, CYP1A1, CYP2D6 MAOB 58/4885MAOA 53/4885ALDH1A1 85/4885

“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.