SCHEMBL4552640

SCHEMBL4552640

CCCCCC(O)Oc1cc(N)c(N)cc1OC

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.41
TOP1 P11387 4/20 0.40
LTA4H P09960 3/20 0.37
CYP3A4 P08684 4/20 0.36
CYP2C8 P10632 3/20 0.36
CYP2C9 P11712 3/20 0.36
CYP2B6 P20813 3/20 0.36
CYP2C19 P33261 3/20 0.36
CYP1A2 P05177 2/20 0.36
TRPV1 Q8NER1 1/20 0.36
HTR2A P28223 1/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2A6 P11509 2/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP2E1 P05181 1/20 0.36
ALOX5 P09917 1/20 0.36

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
SCHEMBL3869453 0.79 HTT (0.45) TOP1CYP3A4CYP2C19CYP2D6KDM4E
SCHEMBL30912061 0.76 CYP1A2 (0.53) CYP3A4CYP2C9CYP2C19CYP1A2KDM4E
SCHEMBL28529317 0.76 CYP1A2 (0.53) CYP3A4CYP2C9CYP2C19CYP1A2KDM4E
SCHEMBL30292263 0.73 ZDHHC7 (0.41) HTR1ATOP1CYP3A4CYP2C8CYP2C9
SCHEMBL11855598 0.69 TSHR (0.42) CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6
SCHEMBL209984 0.69 NPC1 (0.56) CYP3A4KDM4E
SCHEMBL30292293 0.68 TSHR (0.39) HTR1AKDM4E
SCHEMBL11224164 0.67 SMPD1 (0.44) CYP2C9CYP2C19CYP1A2KDM4E
SCHEMBL2802608 0.67 PDE4D (0.56) HTR1ATOP1CYP3A4
SCHEMBL9413733 0.67 ESR2 (0.43)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2019667-A2 DETECTION AND IMAGING OF TARGET TISSUE Barnes-Jewish Hospital (US) 2009-02-04 EP disclosed
WO-2007127958-A2 DETECTION AND IMAGING OF TARGET TISSUE BARNES-JEWISH HOSPITAL (US) 2007-11-08 WO disclosed
US-20070258908-A1 Detection and imaging of target tissue KEREOS, INC. 2007-11-08 US disclosed
US-20070255117-A1 ENHANCED ULTRASOUND DETECTION WITH TEMPERATURE-DEPENDENT CONTRAST AGENTS BARNES-JEWISH HOSPITAL (US) 2007-11-01 US disclosed
US-7179449-B2 Enhanced ultrasound detection with temperature-dependent contrast agents BARNES-JEWISH HOSPITAL (US) 2007-02-20 US disclosed
EP-1039834-B1 OPTOACOUSTIC CONTRAST AGENTS AND METHODS FOR THEIR USE IMARX PHARMACEUTICAL CORP (US) 2005-09-28 EP disclosed
US-20050175541-A1 Enhanced drug delivery KEREOS, INC. 2005-08-11 US disclosed
US-20050079131-A1 Emulsion particles for imaging and therapy and methods of use thereof KEREOS, INC. 2005-04-14 US disclosed
EP-0920439-B1 NUCLEIC ACIDS INTERNALLY-DERIVATIZED WITH A TEXAPHYRIN METAL COMPLEX AND USES THEREOF PHARMACYCLICS INC (US) 2003-04-02 EP disclosed
US-20020102216-A1 Enhanced ultrasound detection with temperature-dependent contrast agents KEREOS, INC. 2002-08-01 US disclosed
EP-1039834-A4 OPTOACOUSTIC CONTRAST AGENTS AND METHODS FOR THEIR USE IMARX PHARMACEUTICAL CORP (US) 2001-12-05 EP disclosed
EP-1039834-A1 OPTOACOUSTIC CONTRAST AGENTS AND METHODS FOR THEIR USE IMARX PHARMACEUTICAL CORP. (US) 2000-10-04 EP disclosed
US-6123923-A ADMINISTERING A PATIENT A CONTRAST AGENT CONTAINING A STABILIZER, A PHOTOACTIVE AGENT, A GASEOUS PRECURSOR SUCH AS PERFLUORINATED COMPOUND OR GAS OR BOTH, AND SCANNING THE PATIENT USING ULTRASOUND IMAGING AND OPTICAL IMAGING IMARX PHARMACEUTICAL CORP. (US) 2000-09-26 US disclosed
US-6022959-A CONJUGATE BINDING A TEXAPHYRIN AND AN OLIGONUCLEOTIDE; FOR THE HYDROLYSIS OF RIBONUCLEIC ACID PHARMACYCLICS, INC. (US) 2000-02-08 US disclosed
WO-1999030620-A1 OPTOACOUSTIC CONTRAST AGENTS AND METHODS FOR THEIR USE IMARX PHARMACEUTICAL CORP. (US) 1999-06-24 WO disclosed
US-5837866-A Phosphoramidite derivatives of macrocycles BOARD OF REGENTS, THE UNIVERSITY OF TEXAS (US) 1998-11-17 US disclosed
US-5633354-A Phosphoramidite derivatives of texaphyrins PHARMACYCLICS, INC. (US) 1997-05-27 US disclosed
US-5565552-A Method of expanded porphyrin-oligonucleotide conjugate synthesis PHARMACYCLICS, INC. (US) 1996-10-15 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 (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-20050175541-A1 Enhanced drug delivery LIPA, EPHA2, FABP1 HTR1A 4338/4885TOP1 696/4885LTA4H 1188/4885
US-20050079131-A1 Emulsion particles for imaging and therapy and methods of use thereof LIPA, PHOSPHO1, PLIN3 HTR1A 4822/4885TOP1 1831/4885LTA4H 1685/4885

“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.