SCHEMBL498745

SCHEMBL498745

COc1c2occc2c([N+](=O)[O-])c2ccc(=O)oc12

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 7/20 0.72
KDM4E B2RXH2 6/20 0.72
CYP1A2 P05177 5/20 0.72
CYP1A1 P04798 4/20 0.72
CYP1B1 Q16678 4/20 0.72
HPGD P15428 3/20 0.72
POLB P06746 1/20 0.72
ALDH1A1 P00352 6/20 0.62
ALOX15 P16050 1/20 0.62
KCNA2 P16389 2/20 0.52
MAPT P10636 4/20 0.52
ABCB1 P08183 1/20 0.52
CYP2D6 P10635 3/20 0.51
CYP2C19 P33261 3/20 0.51
CYP2A6 P11509 2/20 0.51
TSHR P16473 2/20 0.51
MAOA P21397 2/20 0.51
PDE4A P27815 2/20 0.51
MAPK1 P28482 2/20 0.51
ACHE P22303 1/20 0.51

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
Isopimpinellin SCHEMBL498907 0.84 CYP3A4 (1.00) CYP3A4KDM4ECYP1A2CYP1A1CYP1B1
Isopimpinellin SCHEMBL29568822 0.84 CYP3A4 (1.00) CYP3A4KDM4ECYP1A2CYP1A1CYP1B1
SCHEMBL434686 0.80 CYP3A4 (0.80) CYP3A4KDM4ECYP1A2CYP1A1CYP1B1
SCHEMBL31542614 0.80 CYP3A4 (0.80) CYP3A4KDM4ECYP1A2CYP1A1CYP1B1
Pimpinellin SCHEMBL2255899 0.77 CYP3A4 (1.00) CYP3A4KDM4ECYP1A2CYP1A1CYP1B1
SCHEMBL5960652 0.77 CYP3A4 (0.74) CYP3A4KDM4ECYP1A2CYP1A1CYP1B1
SCHEMBL2383938 0.77 CYP3A4 (0.74) CYP3A4KDM4ECYP1A2CYP1A1CYP1B1
SCHEMBL6200404 0.77 CYP3A4 (0.74) CYP3A4KDM4ECYP1A2CYP1A1CYP1B1
Pimpinellin SCHEMBL29162721 0.76 CYP3A4 (0.97) CYP3A4KDM4ECYP1A2CYP1A1CYP1B1
Isopimpinellin SCHEMBL29787210 0.75 CYP3A4 (0.82) CYP3A4KDM4ECYP1A2CYP1A1CYP1B1

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 87 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160205925-A1 ANTIMICROBIAL COMPOSITIONS MADE OF A THERMOPLASTIC POLYMER AND A PHOTOSENSITIZER ARIEL-UNIVERSITY RESEARCH AND DEVELOPMENT COMPANY LTD. (IL) 2016-07-21 US disclosed
US-20160160178-A1 IMMUNOTHERAPY USING STEM CELLS WHITE OAK IND INC (US) 2016-06-09 US disclosed
US-9226917-B2 Photodynamic therapy for conditions of the eye VALEANT PHARMACEUTICALS INTERNATIONAL, INC. (CA) 2016-01-05 US disclosed
US-20150125489-A1 METHOD FOR THE PREPARATION OF DENDRITIC CELL VACCINES LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2015-05-07 US disclosed
US-8968715-B2 Drug delivery systems for photodynamic therapy THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2015-03-03 US disclosed
EP-2819696-A1 METHOD FOR THE PREPARATION OF DENDRITIC CELL VACCINES Laboratorios Del. Dr. Esteve, S.A. (ES) 2015-01-07 EP disclosed
US-8852629-B2 Drug delivery system for hydrophobic drugs VALEANT PHARMACEUTICALS INTERNATIONAL, INC. (CA) 2014-10-07 US disclosed
WO-2013127976-A1 METHOD FOR THE PREPARATION OF DENDRITIC CELL VACCINES LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2013-09-06 WO disclosed
EP-2600904-A1 ARTIFICIAL CELLS Searete LLC (US) 2013-06-12 EP disclosed
US-8211656-B2 Biological targeting compositions and methods of using the same THE INVENTION SCIENCE FUND I, LLC (US) 2012-07-03 US disclosed
WO-2002062386-A2 PHOTODYNAMIC THERAPY OF OCCULT CHOROIDAL NEOVASCULARIZATION LINKED TO AGE-RELATED MACULAR DEGENERATION QLT INC. (CA) 2002-08-15 WO disclosed
WO-2002062384-A2 REDUCED FLUENCE RATE PDT QLT INC. (CA) 2002-08-15 WO disclosed
WO-2002062385-A2 METHOD TO PREVENT VISION LOSS QLT, INC. (CA) 2002-08-15 WO disclosed
EP-1229937-A2 USE OF PDT TO INHIBIT INTIMAL HYPERPLASIA QLT Inc. (CA) 2002-08-14 EP disclosed
US-20020061330-A1 Supports for photosensitizer formulations BRITISH COLUMBIA, THE UNIVERSITY OF (CA) 2002-05-23 US disclosed
US-20020022032-A1 Immuno-adjuvant PDT treatment of metastatic tumors QLT INC. (CA) 2002-02-21 US disclosed
WO-2001085213-A2 SUPPORTS FOR PHOTOSENSITIZER FORMULATIONS THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2001-11-15 WO disclosed
WO-2001085212-A2 DRUG DELIVERY SYSTEMS FOR PHOTODYNAMIC THERAPY THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2001-11-15 WO disclosed
WO-2001035996-A2 USE OF PDT TO INHIBIT INTIMAL HYPERPLASIA QLT INC. (CA) 2001-05-25 WO disclosed
WO-2001035997-A2 USE OF LOW-DOSE PDT TO INHIBIT RESTENOSIS QLT INC. (CA) 2001-05-25 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 (5 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-20160160178-A1 IMMUNOTHERAPY USING STEM CELLS CD14, ICOS, BMP4 CYP3A4 2073/4885KDM4E 562/4885CYP1A2 4208/4885
US-20020061330-A1 Supports for photosensitizer formulations PPOX, PPIF, SDHA CYP3A4 1095/4885KDM4E 3097/4885CYP1A2 1068/4885
US-20160205925-A1 ANTIMICROBIAL COMPOSITIONS MADE OF A THERMOPLASTIC POLYMER AND A PHOTOSENSITIZER CUTA, POLR1C, PUF60 CYP3A4 1955/4885KDM4E 3572/4885CYP1A2 2124/4885
US-20150125489-A1 METHOD FOR THE PREPARATION OF DENDRITIC CELL VACCINES CCR7, CD69, CD14 CYP3A4 4256/4885KDM4E 3450/4885CYP1A2 4577/4885
US-20020022032-A1 Immuno-adjuvant PDT treatment of metastatic tumors CD74, ANXA11, ANXA1 CYP3A4 3319/4885KDM4E 4361/4885CYP1A2 3678/4885

“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.