SCHEMBL4957428

SCHEMBL4957428

CCCCc1cccc2c3nc4nc(nc5[nH]c(nc6nc(nc([nH]3)c12)-c1ccccc1-6)c1ccccc51)-c1ccccc1-4

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CNR2 P34972 1/20 0.37
PARP1 P09874 1/20 0.36
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
TAAR1 Q96RJ0 1/20 0.34
AGTR1 P30556 2/20 0.34
AGTR2 P50052 2/20 0.34
PBRM1 Q86U86 1/20 0.33
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRA1 P14867 1/20 0.33

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
Hydrochloric Acid SCHEMBL4957543 0.99 KDM4E (0.41) KDM4ECYP1A2CYP3A4TSHRHSD17B10
SCHEMBL7771620 0.99 KDM4E (0.41) KDM4ECYP1A2CYP3A4TSHRHSD17B10
Hydrochloric Acid SCHEMBL8716346 0.99 KDM4E (0.41) KDM4ECYP1A2CYP3A4TSHRHSD17B10
SCHEMBL1449413 0.96 KDM4E (0.38) KDM4ECYP1A2CYP3A4TSHRHSD17B10
SCHEMBL7536961 0.95 NR1H2 (0.38) KDM4ECYP1A2CYP3A4TSHRHSD17B10
SCHEMBL6512213 0.95 NR1H2 (0.38) KDM4ECYP1A2CYP3A4TSHRHSD17B10
SCHEMBL6510089 0.95 NR1H2 (0.38) KDM4ECYP1A2CYP3A4TSHRHSD17B10
SCHEMBL6513226 0.95 NR1H2 (0.38) KDM4ECYP1A2CYP3A4TSHRHSD17B10
SCHEMBL5157116 0.95 NR1H2 (0.38) KDM4ECYP1A2CYP3A4TSHRHSD17B10
SCHEMBL9566102 0.94 NR1H2 (0.37) KDM4ECYP1A2CYP3A4TSHRHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4529688-A Infrared sensitive phthalocyanine compositions XEROX CORPORATION (US) 1985-07-16 US claimed
JP-11079725-A None JP disclosed
JP-7104494-A None JP disclosed
CN-115093427-B Medicine for treating Alzheimer disease and related diseases causing cognitive disorder 哈尔滨医科大学 2023-03-24 CN disclosed
CN-115093427-A Medicine for treating Alzheimer disease and related diseases causing cognitive disorder 哈尔滨医科大学 2022-09-23 CN disclosed
US-20150037255-A1 PHTHALOCYANINE DYE-CONTAINING CONTRAST AGENT FOR PHOTOACOUSTIC IMAGING CANON KABUSHIKI KAISHA (JP) 2015-02-05 US disclosed
WO-2008145172-A1 TRI-TERT-BUTYLCARBOXYPHTHALOCYANINES, USES THEREOF AND A PROCESS FOR THEIR PREPARATION Universidad Autónoma de Madrid (ES) 2008-12-04 WO disclosed
US-7322927-B2 Hybrid phthalocyanine derivatives and their uses BIOSITE, INC. (US) 2008-01-29 US disclosed
EP-1249021-A4 SUBSTRATES CARRYING POLYMERS OF LINKED SANDWICH COORDINATION COMPOUNDS AND METHODS OF USE THEREOF UNIV NORTH CAROLINA STATE (US) 2007-03-28 EP disclosed
US-20060228748-A1 Hybrid phthalocyanine derivatives and their uses BIOSITE INCORPORATED 2006-10-12 US disclosed
CN-1197470-A Low hue photobleaches PROCTER & GAMBLE (US) 1998-10-28 CN disclosed
EP-0851898-A1 LOW HUE PHOTOBLEACHES THE PROCTER & GAMBLE COMPANY (US) 1998-07-08 EP disclosed
WO-1998028443-A1 METHOD FOR POLYNUCLEOTIDE AMPLIFICATION DADE BEHRING MARBURG GMBH (DE) 1998-07-02 WO disclosed
EP-0842228-A1 LOW HUE PHOTODISINFECTANTS THE PROCTER & GAMBLE COMPANY (US) 1998-05-20 EP disclosed
EP-0820489-A1 HYBRID PHTHALOCYANINE DERIVATIVES AND THEIR USES BIOSITE DIAGNOSTICS INC. (US) 1998-01-28 EP disclosed
WO-1997023647-A1 HOMOGENEOUS AMPLIFICATION AND DETECTION OF NUCLEIC ACIDS BEHRINGWERKE AKTIENGESELLSCHAFT (DE) 1997-07-03 WO disclosed
WO-1997023646-A1 DETECTION OF DIFFERENCES IN NUCLEIC ACIDS BEHRINGWERKE AKTIENGESELLSCHAFT (DE) 1997-07-03 WO disclosed
WO-1997005202-A1 LOW HUE PHOTOBLEACHES THE PROCTER & GAMBLE COMPANY (US) 1997-02-13 WO disclosed
WO-1997005203-A1 LOW HUE PHOTODISINFECTANTS THE PROCTER & GAMBLE COMPANY (US) 1997-02-13 WO disclosed
JP-H07104494-A ELECTROPHOTOGRAPHIC PHOTORECEPTOR HITACHI LTD 1995-04-21 JP 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-20060228748-A1 Hybrid phthalocyanine derivatives and their uses UACA, PHAX, PTBP1 KDM4E 4610/4885CYP1A2 4811/4885CYP3A4 4022/4885
US-20150037255-A1 PHTHALOCYANINE DYE-CONTAINING CONTRAST AGENT FOR PHOTOACOUSTIC IMAGING PHLPP1, PHLPP2, CRYAA KDM4E 3904/4885CYP1A2 3876/4885CYP3A4 3732/4885

“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.