SCHEMBL13657407

SCHEMBL13657407

CC1(C)C(/C=C/C=C/C=C/C=C2/N(CCCCCC(=O)O)c3ccc4ccccc4c3C2(C)C)=[N+](CCCCCC(=O)O)c2ccc3ccccc3c21

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BLM P54132 1/20 0.75
MLNR O43193 1/20 0.73
NR1I2 O75469 1/20 0.73
PGR P06401 1/20 0.73
ADRB1 P08588 1/20 0.73
ADORA3 P0DMS8 1/20 0.73
CHRM1 P11229 1/20 0.73
DRD2 P14416 1/20 0.73
ADRA2B P18089 1/20 0.73
ADRA2C P18825 1/20 0.73
CHRM3 P20309 1/20 0.73
CNR1 P21554 1/20 0.73
DRD1 P21728 1/20 0.73
TBXA2R P21731 1/20 0.73
SLC6A2 P23975 1/20 0.73
HRH2 P25021 1/20 0.73
HTR2C P28335 1/20 0.73
BDKRB2 P30411 1/20 0.73
ADORA1 P30542 1/20 0.73
AGTR1 P30556 1/20 0.73

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
SCHEMBL14597388 1.00 BLM (0.75) BLMMLNRNR1I2PGRADRB1
Bromide SCHEMBL31621175 0.99 BLM (0.74) BLMMLNRNR1I2PGRADRB1
SCHEMBL17445527 0.99 BLM (0.76) BLMMLNRNR1I2PGRADRB1
SCHEMBL16692020 0.97 PRMT1 (0.72) BLMMLNRNR1I2PGRADRB1
SCHEMBL19130572 0.97 PRMT1 (0.72) BLMMLNRNR1I2PGRADRB1
SCHEMBL19632961 0.96 BLM (0.72) BLMMLNRNR1I2PGRADRB1
SCHEMBL24968124 0.96 BLM (0.69) BLMMLNRNR1I2PGRADRB1
SCHEMBL24968104 0.95 PRMT1 (0.69) BLMMLNRNR1I2PGRADRB1
SCHEMBL249681 0.95 MLNR (0.83) BLMMLNRNR1I2PGRADRB1
SCHEMBL20042445 0.95 MLNR (0.83) BLMMLNRNR1I2PGRADRB1

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
US-9844606-B2 Indocyanine compound, synthesis method and purification method thereof, diagnostic composition using the indocyanine compound, and device for measuring biokinetics and device for visualizing circulation using the diagnostic composition NATIONAL UNIVERSITY CORPORATION MIE UNIVERSITY (JP) 2017-12-19 US disclosed
US-20170157273-A1 NOVEL INDOCYANINE COMPOUND, SYNTHESIS METHOD AND PURIFICATION METHOD THEREOF, DIAGNOSTIC COMPOSITION USING THE INDOCYANINE COMPOUND, AND DEVICE FOR MEASURING BIOKINETICS AND DEVICE FOR VISUALIZING CIRCULATION USING THE DIAGNOSTIC COMPOSITION NATIONAL UNIVERSITY CORPORATION MIE UNIVERSITY (JP) 2017-06-08 US disclosed
US-9283288-B2 Methods of using optical agents MEDIBEACON, INC. (US) 2016-03-15 US disclosed
US-20160067359-A1 COMPOSITION HAVING DYE AND CONJUGATE OF POLYETHYLENEGLYCOL AND ADDITIVE AND CONTRAST AGENT FOR PHOTOACOUSTIC IMAGING HAVING THE SAME CANON KABUSHIKI KAISHA (JP) 2016-03-10 US disclosed
US-20150152267-A1 NOVEL INDOCYANINE COMPOUND, SYNTHESIS METHOD AND PURIFICATION METHOD THEREOF, DIAGNOSTIC COMPOSITION USING THE INDOCYANINE COMPOUND, AND DEVICE FOR MEASURING BIOKINETICS AND DEVICE FOR VISUALIZING CIRCULATION USING THE DIAGNOSTIC COMPOSITION NATIONAL UNIVERSITY CORPORATION MIE UNIVERSITY (JP) 2015-06-04 US disclosed
US-7608244-B2 Hydrophilic light absorbing compositions for determination of physiological function in critically ill patients MALLINCKRODT INC. (US) 2009-10-27 US disclosed
US-20090263327-A1 MINIMALLY INVASIVE PHYSIOLOGICAL FUNCTION MONITORING AGENTS MALLINCKRODT INC. (US) 2009-10-22 US disclosed
US-7556797-B2 Minimally invasive physiological function monitoring agents MALLINCKRODT INC. (US) 2009-07-07 US disclosed
US-7468177-B2 Hydrophilic light absorbing compositions for determination of physiological function in critically ill patients MALLINCKRODT INC. (US) 2008-12-23 US disclosed
US-20080312539-A1 Methods of Using Optical Agents MEDIBEACON, INC. 2008-12-18 US disclosed
US-7438894-B2 Dyes for organ function monitoring MALLINCKRODT, INC. (US) 2008-10-21 US disclosed
US-20080056989-A1 Novel Dyes for Organ Function Monitoring MALLINCKRODT, INC. (US) 2008-03-06 US disclosed
US-20070269373-A1 HYDROPHILIC LIGHT ABSORBING COMPOSITIONS FOR DETERMINATION OF PHYSIOLOGICAL FUNCTION IN CRITICALLY ILL PATIENTS MALLINCKRODT, INC. (US) 2007-11-22 US disclosed
US-20070269368-A1 HYDROPHILIC LIGHT ABSORBING COMPOSITIONS FOR DETERMINATION OF PHYSIOLOGICAL FUNCTION IN CRITICALLY ILL PATIENTS MALLINCKRODT, INC. (US) 2007-11-22 US disclosed
US-7297325-B2 Hydrophilic light absorbing compositions for determination of physiological function MALLINCKRODT INC. (US) 2007-11-20 US disclosed
US-20070140962-A1 Light Sensitive Compounds for Instant Determination of Organ Function MALLINCKRODT INC. (US) 2007-06-21 US disclosed
US-20070092450-A1 TISSUE-SPECIFIC EXOGENOUS OPTICAL AGENTS MALLINCKRODT INC. (US) 2007-04-26 US disclosed
US-7175831-B2 Light sensitive compounds for instant determination of organ function MALLINCKRODT, INC. (US) 2007-02-13 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 (9 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-20080056989-A1 Novel Dyes for Organ Function Monitoring TNNI3, TNNT2, TPH1 BLM 3105/4885MLNR 511/4885NR1I2 767/4885
US-20160067359-A1 COMPOSITION HAVING DYE AND CONJUGATE OF POLYETHYLENEGLYCOL AND ADDITIVE AND CONTRAST AGENT FOR PHOTOACOUSTIC IMAGING HAVING THE SAME ALG1, PHOSPHO1, COL1A1 BLM 2310/4885MLNR 1078/4885NR1I2 1147/4885
US-20070140962-A1 Light Sensitive Compounds for Instant Determination of Organ Function TNNI3, TNNC1, TNNT2 BLM 3544/4885MLNR 682/4885NR1I2 1210/4885
US-20070269368-A1 HYDROPHILIC LIGHT ABSORBING COMPOSITIONS FOR DETERMINATION OF PHYSIOLOGICAL FUNCTION IN CRITICALLY ILL PATIENTS TNNI3, IDO1, TPH1 BLM 2177/4885MLNR 1026/4885NR1I2 799/4885
US-20150152267-A1 NOVEL INDOCYANINE COMPOUND, SYNTHESIS METHOD AND PURIFICATION METHOD THEREOF, DIAGNOSTIC COMPOSITION USING THE INDOCYANINE COMPOUND, AND DEVICE FOR MEASURING BIOKINETICS AND DEVICE FOR VISUALIZING CIRCULATION USING THE DIAGNOSTIC COMPOSITION GYS2, PYGL, GPR119 BLM 1854/4885MLNR 2432/4885NR1I2 991/4885
US-20170157273-A1 NOVEL INDOCYANINE COMPOUND, SYNTHESIS METHOD AND PURIFICATION METHOD THEREOF, DIAGNOSTIC COMPOSITION USING THE INDOCYANINE COMPOUND, AND DEVICE FOR MEASURING BIOKINETICS AND DEVICE FOR VISUALIZING CIRCULATION USING THE DIAGNOSTIC COMPOSITION GYS2, PYGL, GPR119 BLM 1854/4885MLNR 2432/4885NR1I2 991/4885
US-20070269373-A1 HYDROPHILIC LIGHT ABSORBING COMPOSITIONS FOR DETERMINATION OF PHYSIOLOGICAL FUNCTION IN CRITICALLY ILL PATIENTS TNNI3, IDO1, TPH1 BLM 2177/4885MLNR 1026/4885NR1I2 799/4885
US-20090263327-A1 MINIMALLY INVASIVE PHYSIOLOGICAL FUNCTION MONITORING AGENTS TNNI3, MB, TNNT2 BLM 2041/4885MLNR 535/4885NR1I2 1269/4885
US-20070092450-A1 TISSUE-SPECIFIC EXOGENOUS OPTICAL AGENTS TNNI3, TNNT2, TNNC1 BLM 2919/4885MLNR 1269/4885NR1I2 942/4885

“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.