SCHEMBL498327

SCHEMBL498327

CC(=O)c1cc2cc3c(C)cc(=O)oc3c(C)c2o1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.66
ALDH1A1 P00352 5/20 0.66
MAOA P21397 3/20 0.66
MAPK1 P28482 3/20 0.66
CYP3A4 P08684 2/20 0.66
CYP1A2 P05177 1/20 0.66
HTR2C P28335 1/20 0.66
ADORA2A P29274 1/20 0.66
MAOB P27338 3/20 0.48
HSD17B10 Q99714 4/20 0.47
MAPT P10636 3/20 0.47
UBE2N P61088 1/20 0.47
HPGD P15428 4/20 0.46
L3MBTL1 Q9Y468 4/20 0.46
TSHR P16473 1/20 0.46
LMNA P02545 5/20 0.45
HTT P42858 4/20 0.45
GAA P10253 2/20 0.45
GLA P06280 1/20 0.45
KMT2A Q03164 1/20 0.45

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
Trioxsalen SCHEMBL1252 0.80 KDM4E (1.00) KDM4EALDH1A1MAOAMAPK1CYP3A4
Trioxsalen SCHEMBL29432841 0.80 KDM4E (1.00) KDM4EALDH1A1MAOAMAPK1CYP3A4
Trioxsalen SCHEMBL4954831 0.80 KDM4E (1.00) KDM4EALDH1A1MAOAMAPK1CYP3A4
SCHEMBL499329 0.79 CA9 (0.50) KDM4EALDH1A1MAOAMAPK1CYP3A4
Trioxsalen SCHEMBL11442670 0.78 KDM4E (0.97) KDM4EALDH1A1MAOAMAPK1CYP3A4
Trioxsalen SCHEMBL28165974 0.78 KDM4E (0.76) KDM4EALDH1A1MAOAMAPK1CYP3A4
SCHEMBL9463906 0.77 KDM4E (0.66) KDM4EALDH1A1MAOAMAPK1CYP3A4
Trioxsalen SCHEMBL28215231 0.77 KDM4E (0.85) KDM4EALDH1A1MAOAMAPK1CYP3A4
SCHEMBL9463909 0.76 KDM4E (0.57) KDM4EALDH1A1MAOAMAPK1CYP3A4
SCHEMBL10571530 0.75 KDM4E (0.51) KDM4EALDH1A1MAOAMAPK1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2379109-B1 COMBINATION OF PHOTODYNAMIC THERAPY AND ANTI-VEGF AGENTS IN THE TREATMENT OF UNWANTED CHOROIDAL NEOVASCULATURE BAUSCH HEALTH COMPANIES INC (CA) 2020-10-07 EP disclosed
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
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 KDM4E 562/4885ALDH1A1 1648/4885MAOA 4624/4885
US-20020061330-A1 Supports for photosensitizer formulations PPOX, PPIF, SDHA KDM4E 3097/4885ALDH1A1 371/4885MAOA 252/4885
US-20160205925-A1 ANTIMICROBIAL COMPOSITIONS MADE OF A THERMOPLASTIC POLYMER AND A PHOTOSENSITIZER CUTA, POLR1C, PUF60 KDM4E 3572/4885ALDH1A1 1405/4885MAOA 2719/4885
US-20150125489-A1 METHOD FOR THE PREPARATION OF DENDRITIC CELL VACCINES CCR7, CD69, CD14 KDM4E 3450/4885ALDH1A1 3097/4885MAOA 3905/4885
US-20020022032-A1 Immuno-adjuvant PDT treatment of metastatic tumors CD74, ANXA11, ANXA1 KDM4E 4361/4885ALDH1A1 794/4885MAOA 3688/4885

“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.