SCHEMBL499204

SCHEMBL499204

Cc1cc2cc3c(C)c(Br)c(=O)oc3c(C)c2o1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.58
KDM4E B2RXH2 4/20 0.58
MAPK1 P28482 3/20 0.58
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
MAOA P21397 1/20 0.58
HTR2C P28335 1/20 0.58
ADORA2A P29274 1/20 0.58
GAA P10253 3/20 0.53
HTT P42858 3/20 0.53
NSD2 O96028 1/20 0.53
LMNA P02545 1/20 0.53
POLB P06746 1/20 0.53
MAPT P10636 1/20 0.53
HPGD P15428 1/20 0.53
BLM P54132 1/20 0.53
CASP6 P55212 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.50
CSNK2A1 P68400 1/20 0.46

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
SCHEMBL5011938 0.86 ALDH1A1 (0.65) ALDH1A1KDM4EMAPK1CYP1A2CYP3A4
SCHEMBL16872346 0.81 MAPK1 (0.58) ALDH1A1KDM4EMAPK1CYP1A2CYP3A4
SCHEMBL8696887 0.78 MAPK1 (0.59) ALDH1A1KDM4EMAPK1CYP1A2CYP3A4
SCHEMBL10588182 0.77 ALDH1A1 (0.54) ALDH1A1KDM4EMAPK1CYP1A2CYP3A4
SCHEMBL756454 0.77 ALDH1A1 (0.54) ALDH1A1KDM4EMAPK1CYP1A2CYP3A4
SCHEMBL7989481 0.77 KDM4E (0.54) ALDH1A1KDM4EMAPK1CYP1A2CYP3A4
SCHEMBL9463973 0.77 ALDH1A1 (0.55) ALDH1A1KDM4EMAPK1GAAHTT
SCHEMBL11408643 0.76 ALDH1A1 (0.52) ALDH1A1KDM4EMAPK1CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL6991180 0.76 ALDH1A1 (0.52) ALDH1A1KDM4EMAPK1CYP1A2CYP3A4
SCHEMBL7632180 0.75 ALDH1A1 (0.51) ALDH1A1KDM4EMAPK1CYP1A2CYP3A4

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 82 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
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-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
US-5216176-A 7-alkoxycoumarins, dihydropsoralens, and benzodipyranones as photo-activated therapeutic agents and inhibitors of epidermal growth factor LEHIGH UNIVERSITY (US) 1993-06-01 US 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 ALDH1A1 1648/4885KDM4E 562/4885MAPK1 2502/4885
US-20020061330-A1 Supports for photosensitizer formulations PPOX, PPIF, SDHA ALDH1A1 371/4885KDM4E 3097/4885MAPK1 4750/4885
US-20160205925-A1 ANTIMICROBIAL COMPOSITIONS MADE OF A THERMOPLASTIC POLYMER AND A PHOTOSENSITIZER CUTA, POLR1C, PUF60 ALDH1A1 1405/4885KDM4E 3572/4885MAPK1 2632/4885
US-20150125489-A1 METHOD FOR THE PREPARATION OF DENDRITIC CELL VACCINES CCR7, CD69, CD14 ALDH1A1 3097/4885KDM4E 3450/4885MAPK1 2282/4885
US-20020022032-A1 Immuno-adjuvant PDT treatment of metastatic tumors CD74, ANXA11, ANXA1 ALDH1A1 794/4885KDM4E 4361/4885MAPK1 4556/4885

“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.