SCHEMBL4795310

SCHEMBL4795310

COc1c(OC)c2cc3ccoc3cc2oc1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.53
CYP3A4 P08684 7/20 0.52
HSD17B10 Q99714 4/20 0.52
ADORA3 P0DMS8 4/20 0.52
MAOA P21397 4/20 0.52
CYP2D6 P10635 4/20 0.52
CYP2C19 P33261 4/20 0.52
ALDH1A1 P00352 4/20 0.52
KDM4E B2RXH2 3/20 0.52
CYP2A6 P11509 3/20 0.52
CYP1A1 P04798 3/20 0.52
CYP1A2 P05177 3/20 0.52
CYP2C9 P11712 2/20 0.52
TSHR P16473 2/20 0.52
CYP1B1 Q16678 2/20 0.52
PGR P06401 1/20 0.52
KCNA2 P16389 1/20 0.52
MAPK1 P28482 3/20 0.48
HPGD P15428 2/20 0.48
THRB P10828 1/20 0.48

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
SCHEMBL3975535 0.79 ADORA3 (0.66) CYP3A4HSD17B10ADORA3MAOACYP2D6
SCHEMBL6994969 0.78 ALDH2 (0.56) PTPN1CYP3A4HSD17B10ADORA3MAOA
SCHEMBL8440887 0.76 PTPN1 (0.53) PTPN1CYP3A4HSD17B10ADORA3MAOA
SCHEMBL29598759 0.75 ABCG2 (0.64) PTPN1CYP3A4HSD17B10ADORA3MAOA
SCHEMBL1301705 0.74 CYP3A4 (0.62) PTPN1CYP3A4HSD17B10ADORA3MAOA
SCHEMBL8494597 0.70 KDM4E (0.63) CYP3A4MAOACYP2C19ALDH1A1KDM4E
SCHEMBL600311 0.70 KDM4E (0.58) PTPN1CYP3A4HSD17B10MAOACYP2D6
SCHEMBL29597830 0.70 PTPN1 (1.00) PTPN1CYP3A4HSD17B10CYP2D6CYP2C19
Bergapten SCHEMBL29529284 0.69 ALDH1A1 (1.00) CYP3A4HSD17B10ADORA3MAOACYP2D6
Bergapten SCHEMBL50066 0.69 ALDH1A1 (1.00) CYP3A4HSD17B10ADORA3MAOACYP2D6

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7350331-B1 Method for producing metabolites from plants cultivated in soil-less medium INSTITUT NATIONAL POLYTECHNIQUE DE LORRAINE (INPL) (FR) 2008-04-01 US disclosed
EP-1465590-B1 MICELLE COMPOSITIONS CONTAINING PEGYLATED PHOSPHOLIPIDS AND A PHOTOSENSITIZER UNIV ALBERTA (CA) 2008-03-26 EP disclosed
US-7090691-B2 Photodynamic therapy for the treatment of hair loss QLT INC. (CA) 2006-08-15 US disclosed
EP-1465590-A2 MICELLE COMPOSITIONS CONTAINING PEGYLATED PHOSPHOLIPIDS AND A PHOTOSENSITIZER THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2004-10-13 EP disclosed
EP-1443964-A1 PHOTODYNAMIC THERAPY FOR THE TREATMENT OF HAIR LOSS QLT Inc. (CA) 2004-08-11 EP disclosed
EP-1227714-B1 METHOD FOR PRODUCING METABOLITES FROM PLANTS CULTIVATED IN SOIL-LESS MEDIUM LORRAINE INST NAT POLYTECH (FR) 2004-05-06 EP disclosed
US-20040015214-A1 Photodynamic therapy for the treatment of hair loss QLT INC. (CA) 2004-01-22 US disclosed
US-20040013717-A1 PEG-lipid containing formulations VALEANT PHARMACEUTICALS INTERNATIONAL, INC. (CA) 2004-01-22 US disclosed
WO-2003059309-A1 COMPOSITION BASED ON 5,7 DMC AND/OR BERGAMOTTIN CHAPELLE ANDRE (BE) 2003-07-24 WO disclosed
WO-2003039596-A1 PHOTODYNAMIC THERAPY FOR THE TREATMENT OF HAIR LOSS QLT INC. (CA) 2003-05-15 WO disclosed
WO-2003037295-A2 MICELLE COMPOSITIONS CONTAINING PEGYLATED PHOSPHOLIPIDS AND A PHOTOSENSITIZER THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2003-05-08 WO disclosed
EP-1227714-A1 METHOD FOR PRODUCING METABOLITES FROM PLANTS CULTIVATED IN SOIL-LESS MEDIUM INSTITUT NATIONAL DE LA RECHERCHE AGRONOMIQUE (INRA) (FR) 2002-08-07 EP disclosed
WO-2001033942-A1 METHOD FOR PRODUCING METABOLITES FROM PLANTS CULTIVATED IN SOIL-LESS MEDIUM INSTITUT NATIONAL POLYTECHNIQUE DE LORRAINE (FR) 2001-05-17 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-20040013717-A1 PEG-lipid containing formulations PHOSPHO1, PTDSS2, PLTP PTPN1 1269/4885CYP3A4 967/4885HSD17B10 853/4885

“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.