SCHEMBL6479574

SCHEMBL6479574

O=c1oc2cc(O)c(O)c([N+](=O)[O-])c2c2c1CCCC2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.45
HPGD P15428 7/20 0.45
KDM4E B2RXH2 6/20 0.45
HSD17B10 Q99714 6/20 0.45
TSHR P16473 5/20 0.45
MAPT P10636 4/20 0.45
GAA P10253 3/20 0.45
GLA P06280 2/20 0.45
CASP1 P29466 2/20 0.45
CASP7 P55210 2/20 0.45
MAPK1 P28482 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.41
RXFP1 Q9HBX9 1/20 0.40
MAOA P21397 1/20 0.40

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
SCHEMBL7534533 0.84 ALDH1A1 (0.49) ALDH1A1HPGDKDM4EHSD17B10TSHR
SCHEMBL7533113 0.75 ALDH1A1 (0.46) ALDH1A1HPGDKDM4EHSD17B10TSHR
SCHEMBL4710491 0.74 ALDH1A1 (0.59) ALDH1A1HPGDKDM4EHSD17B10TSHR
SCHEMBL6585928 0.72 ALDH1A1 (0.58) ALDH1A1HPGDKDM4EHSD17B10TSHR
SCHEMBL7537508 0.70 ALDH1A1 (0.49) ALDH1A1HPGDKDM4EHSD17B10TSHR
SCHEMBL7531522 0.70 RXFP1 (0.60) ALDH1A1HPGDKDM4EHSD17B10TSHR
SCHEMBL13016751 0.69 MAOA (0.58) ALDH1A1HPGDKDM4EHSD17B10TSHR
SCHEMBL6478874 0.69 KMT2A (0.48) ALDH1A1HPGDKDM4EHSD17B10MAPT
SCHEMBL4708982 0.68 ALDH1A1 (0.57) ALDH1A1HPGDKDM4EHSD17B10TSHR
SCHEMBL13840361 0.68 ALDH1A1 (0.72) ALDH1A1HPGDKDM4EHSD17B10TSHR

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 ALDH1A1 85/4885HPGD 585/4885KDM4E 2539/4885
US-20030186975-A1 Coumarin derivatives with comt inhibiting activity COMT, CYP1A1, CYP2D6 ALDH1A1 85/4885HPGD 585/4885KDM4E 2539/4885

“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.