SCHEMBL4958710

SCHEMBL4958710

COc1c(C#N)c(C#N)c(OC)c2ccccc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.61
ALDH1A1 P00352 4/20 0.61
MAPK1 P28482 2/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
IMPDH2 P12268 1/20 0.47
IMPDH1 P20839 1/20 0.47
MAPT P10636 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
GAA P10253 1/20 0.46
CACNA1B Q00975 1/20 0.46
APBA1 Q02410 1/20 0.46
POLB P06746 2/20 0.43
SQOR Q9Y6N5 3/20 0.43
ADORA2A P29274 2/20 0.40
ADORA1 P30542 2/20 0.40
LMNA P02545 2/20 0.39
HTT P42858 2/20 0.39
PABPC1 P11940 1/20 0.39
CASP3 P42574 1/20 0.39

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
SCHEMBL31171419 1.00 KDM4E (0.61) KDM4EALDH1A1MAPK1SMN1; SMN2IMPDH2
SCHEMBL15805524 0.84 NQO1 (0.48) KDM4EALDH1A1MAPK1SMN1; SMN2IMPDH2
SCHEMBL5166743 0.80 KDM4E (0.44) KDM4EALDH1A1MAPK1SMN1; SMN2IMPDH2
SCHEMBL5166619 0.80 KDM4E (0.44) KDM4EALDH1A1MAPK1SMN1; SMN2IMPDH2
SCHEMBL5167234 0.79 ALDH1A1 (0.42) KDM4EALDH1A1MAPK1SMN1; SMN2IMPDH2
SCHEMBL28313759 0.79 KDM4E (0.64) KDM4EALDH1A1MAPK1SMN1; SMN2IMPDH2
SCHEMBL4657378 0.78 ALDH1A1 (0.41) KDM4EALDH1A1MAPK1SMN1; SMN2IMPDH2
SCHEMBL7830291 0.78 POLB (0.59) KDM4EALDH1A1MAPK1SMN1; SMN2MAPT
SCHEMBL7820838 0.78 RECQL (0.46) KDM4EALDH1A1MAPK1SMN1; SMN2IMPDH2
SCHEMBL52405 0.77 ALDH1A1 (1.00) KDM4EALDH1A1MAPK1SMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021041734-A1 ELECTROCHEMICAL CAPTURE OF LEWIS ACID GASES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2021-03-04 WO disclosed
US-7322927-B2 Hybrid phthalocyanine derivatives and their uses BIOSITE, INC. (US) 2008-01-29 US disclosed
US-20060228748-A1 Hybrid phthalocyanine derivatives and their uses BIOSITE INCORPORATED 2006-10-12 US disclosed
US-7083984-B2 Hybrid phthalocyanine derivatives and their uses BIOSITE, INC. (US) 2006-08-01 US disclosed
US-6964844-B1 Hybrid phthalocyanine derivatives and their uses BIOSITE, INC. (US) 2005-11-15 US disclosed
US-20020061602-A1 Hybrid phthalocyanine derivatives and their uses GENERAL ELECTRIC CAPITAL CORPORATION, AS AGENT 2002-05-23 US disclosed
EP-0670041-B1 FLUORESCENCE ENERGY TRANSFER AND INTRAMOLECULAR ENERGY TRANSFER IN PARTICLES USING NOVEL COMPOUNDS BIOSITE DIAGNOSTICS INC (US) 2002-01-30 EP disclosed
US-6251687-B1 PARTICLE CONTAINING ENERGY DONOR AND ENERGY ACCEPTOR BIOSITE DIAGNOSTICS, INC. 2001-06-26 US disclosed
US-5824799-A A SILICON FLUORESCENT DYES FOR DETECTING ANALYTE IN IMMUNOASSAYS BIOSITE DIAGNOSTICS INCORPORATED (US) 1998-10-20 US disclosed
US-5763189-A Fluorescence energy transfer and intramolecular energy transfer in particles using novel compounds BIOSITE DIAGNOSTICS INCORPORATED (US) 1998-06-09 US disclosed
EP-0820489-A1 HYBRID PHTHALOCYANINE DERIVATIVES AND THEIR USES BIOSITE DIAGNOSTICS INC. (US) 1998-01-28 EP disclosed
US-5656752-A Preparation of naphthalocyanines BASF AKTIENGESELLSCHAFT (DE) 1997-08-12 US disclosed
EP-0692002-B1 METHOD OF PREPARING NAPHTHALOCYANINES BASF AG (DE) 1996-12-27 EP disclosed
WO-1996029367-A1 HYBRID PHTHALOCYANINE DERIVATIVES AND THEIR USES BIOSITE DIAGNOSTICS INCORPORATED (US) 1996-09-26 WO disclosed
EP-0692002-A1 METHOD OF PREPARING NAPHTHALOCYANINES BASF AG (DE) 1996-01-17 EP disclosed
WO-1994022960-A1 METHOD OF PREPARING NAPHTHALOCYANINES BASF AKTIENGESELLSCHAFT (DE) 1994-10-13 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-20060228748-A1 Hybrid phthalocyanine derivatives and their uses UACA, PHAX, PTBP1 KDM4E 4610/4885ALDH1A1 1368/4885MAPK1 3981/4885

“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.