SCHEMBL4017205

SCHEMBL4017205

[CH2]OC(c1ccccc1)(c1ccc(OC)cc1)c1ccc(OC)cc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA4 P22748 1/20 0.50
KIF11 P52732 9/20 0.49
KCNH2 Q12809 1/20 0.49
LTA4H P09960 2/20 0.48
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA12 O43570 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
TRPA1 O75762 1/20 0.44
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL3932304 1.00 CA4 (0.50) CA4KIF11KCNH2LTA4HCA1
SCHEMBL6546972 0.92 CA1 (0.52) CA4LTA4HCA1CA2CA12
SCHEMBL434969 0.83 CA4 (0.54) CA4KIF11KCNH2LTA4HCA1
SCHEMBL136229 0.83 CA4 (0.54) CA4KIF11KCNH2LTA4HCA1
SCHEMBL8784660 0.83 CA4 (0.54) CA4KIF11KCNH2LTA4HCA1
SCHEMBL774134 0.83 CA4 (0.54) CA4KIF11KCNH2LTA4HCA1
SCHEMBL328834 0.82 KIF11 (0.44) KIF11
Hydrochloric Acid SCHEMBL30389842 0.82 CA4 (0.52) CA4KIF11KCNH2LTA4HCA1
Bromide SCHEMBL31164184 0.82 CA4 (0.52) CA4KIF11KCNH2LTA4HCA1
SCHEMBL8728589 0.80 KIF11 (0.56) CA4KIF11KCNH2LTA4HCA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030129589-A1 DNA DIAGNOSTICS BASED ON MASS SPECTROMETRY SEQUENOM, INC. 2003-07-10 US claimed
US-20020042112-A1 DNA DIAGNOSTICS BASED ON MASS SPECTROMETRY SEQUENOM, INC. 2002-04-11 US claimed
EP-0954612-A2 DNA DIAGNOSTICS BASED ON MASS SPECTROMETRY SEQUENOM, INC. (US) 1999-11-10 EP claimed
WO-1998020166-A2 DNA DIAGNOSTICS BASED ON MASS SPECTROMETRY SEQUENOM, INC. (US) 1998-05-14 WO claimed
EP-1457496-B1 High density immobilization of nucleic acids SEQUENOM INC (US) 2014-01-15 EP disclosed
EP-1296143-B1 Mass spectrometric detection of polypeptides SEQUENOM INC (US) 2009-06-03 EP disclosed
US-7501251-B2 DNA diagnostics based on mass spectrometry SEQUENOM, INC. (US) 2009-03-10 US disclosed
US-20090023150-A1 DNA Diagnostics Based on Mass Spectrometry SEQUENOM, INC. (US) 2009-01-22 US disclosed
EP-1164203-B1 DNA Diagnostics based on mass spectrometry SEQUENOM INC (US) 2007-10-10 EP disclosed
US-20070202514-A1 DNA diagnostics based on mass spectrometry SEQUENOM, INC. (US) 2007-08-30 US disclosed
US-7198893-B1 DNA diagnostics based on mass spectrometry SEQUENOM, INC. (US) 2007-04-03 US disclosed
EP-1010008-B1 MASS SPECTROMETRIC DETECTION OF POLYPEPTIDES SEQUENOM INC (US) 2006-11-22 EP disclosed
EP-1164203-A2 DNA Diagnostics based on mass spectrometry SEQUENOM, INC. (US) 2001-12-19 EP disclosed
US-6322970-B1 DIAGNOSING GENETIC OR CHROMOSOMAL DISORDERS; IN VITRO TRANSCRIPTION AND TRANSLATION; SEQUENCE DETERMINATION SEQUENOM, INC. 2001-11-27 US disclosed
EP-1010008-A2 MASS SPECTROMETRIC DETECTION OF POLYPEPTIDES SEQUENOM, INC. (US) 2000-06-21 EP disclosed
EP-0954612-A2 DNA DIAGNOSTICS BASED ON MASS SPECTROMETRY SEQUENOM, INC. (US) 1999-11-10 EP disclosed
EP-0937096-A2 HIGH DENSITY IMMOBILIZATION OF NUCLEIC ACIDS SEQUENOM, INC. (US) 1999-08-25 EP disclosed
WO-1999012040-A2 MASS SPECTROMETRIC DETECTION OF POLYPEPTIDES SEQUENOM, INC. (US) 1999-03-11 WO disclosed
WO-1998020166-A2 DNA DIAGNOSTICS BASED ON MASS SPECTROMETRY SEQUENOM, INC. (US) 1998-05-14 WO disclosed
WO-1998020020-A2 HIGH DENSITY IMMOBILIZATION OF NUCLEIC ACIDS SEQUENOM, INC. (US) 1998-05-14 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-20020042112-A1 DNA DIAGNOSTICS BASED ON MASS SPECTROMETRY DNA2, DDB1, DNMT3A CA4 2001/4885KIF11 1143/4885KCNH2 3260/4885

“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.