SCHEMBL839374

SCHEMBL839374

[CH2]CCOCCCCOC(C)=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
TSHR P16473 4/20 0.45
CHRM5 P08912 2/20 0.40
CHRM1 P11229 2/20 0.40
CHRM3 P20309 2/20 0.40
PGR P06401 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
HTR1A P08908 1/20 0.40
CHRNB2 P17787 1/20 0.40
TBXA2R P21731 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA7 P36544 1/20 0.40
CHRNA4 P43681 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CHRNA10 Q9GZZ6 1/20 0.40
CHRNA9 Q9UGM1 1/20 0.40
LMNA P02545 2/20 0.40
APOBEC3A P31941 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
SCHEMBL8769508 0.96 ALDH1A1 (0.52) ALDH1A1TSHRCHRM5CHRM1CHRM3
SCHEMBL8769038 0.96 ALDH1A1 (0.52) ALDH1A1TSHRCHRM5CHRM1CHRM3
SCHEMBL6661477 0.89 ALDH1A1 (0.64) ALDH1A1TSHRCHRM5CHRM1CHRM3
SCHEMBL8958759 0.86 ALDH1A1 (0.60) ALDH1A1TSHRCHRM5CHRM1CHRM3
SCHEMBL8589476 0.86 ALDH1A1 (0.60) ALDH1A1TSHRCHRM5CHRM1CHRM3
SCHEMBL133539 0.86
SCHEMBL9193886 0.86 ALDH1A1 (0.61) ALDH1A1TSHRCHRM5CHRM1CHRM3
SCHEMBL9470428 0.84 ALDH1A1 (0.54) ALDH1A1TSHRCHRM5CHRM1CHRM3
SCHEMBL129583 0.84 ALDH1A1 (0.58) ALDH1A1TSHRCHRM5CHRM1CHRM3
SCHEMBL7841371 0.84 ALDH1A1 (0.58) ALDH1A1TSHRCHRM5CHRM1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8506654-B2 Disperse dye mixtures which have a high degree of light fastness and build-up DYSTAR L.P. (US) 2013-08-13 US claimed
US-20120246843-A1 DISPERSE DYE MIXTURES WHICH HAVE A HIGH DEGREE OF LIGHT FASTNESS AND BUILD-UP DYSTAR L.P. (US) 2012-10-04 US claimed
US-8142520-B2 Blue anthraquinone dyes, production and use thereof DYSTAR COLOURS DEUTSCHLAND GMBH (DE) 2012-03-27 US claimed
EP-1644447-B1 DISPERSE DYE MIXTURES WHICH HAVE A HIGH DEGREE OF LIGHT FASTNESS DYSTAR COLOURS DEUTSCHLAND (DE) 2011-08-10 EP claimed
US-7824451-B2 blue anthraquinone and anthra(2,3-c)pyrrolidinedione pigments; dyeing very fine polyester fibers; also with red and/or yellow pigments DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2010-11-02 US claimed
US-20100064452-A1 BLUE ANTHRAQUINONE DYES, PRODUCTION AND USE THEREOF DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2010-03-18 US claimed
EP-2069435-A1 BLUE ANTHRAQUINONE DYES, PRODUCTION AND USE THEREOF DyStar Textilfarben GmbH & Co. Deutschland KG (DE) 2009-06-17 EP claimed
US-20080189882-A1 Hot-Light Resistant Blue Dispersion Dyes DYSTAR TEXTIFARBEN GMBH & CO. DEUTSCHLAND (DE) 2008-08-14 US claimed
WO-2008025733-A1 BLUE ANTHRAQUINONE DYES, PRODUCTION AND USE THEREOF DYSTAR TEXTILFARBEN GMBH & CO DEUTSCHLAND KG (DE) 2008-03-06 WO claimed
EP-1891164-A2 HOT-LIGHT RESISTANT BLUE DISPERSION DYES DyStar Textilfarben GmbH & Co. Deutschland KG (DE) 2008-02-27 EP claimed
US-20070271710-A1 Disperse Dyes for Poly(Lactic Acid) Based Fibers DYSTAR TEXTIFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2007-11-29 US claimed
WO-2006128869-A2 HOT-LIGHT RESISTANT BLUE DISPERSION DYES DYSTAR TEXTILFARBEN GMBH & CO DEUTSCHLAND KG (DE) 2006-12-07 WO claimed
US-20060230549-A1 blue anthraquinone and anthra(2,3-c)pyrrolidinedione pigments; dyeing very fine polyester fibers; also with red and/or yellow pigments DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2006-10-19 US claimed
WO-2006003088-A1 DISPERSE DYES FOR POLY(LACTIC ACID) BASED FIBERS DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2006-01-12 WO claimed
US-4960873-A 3-pyridylisothiazoleazo compounds useful as disperse dyes BASF AKTIENGESELLSCHAFT (DE) 1990-10-02 US claimed
US-8506654-B2 Disperse dye mixtures which have a high degree of light fastness and build-up DYSTAR L.P. (US) 2013-08-13 US disclosed
US-20120246843-A1 DISPERSE DYE MIXTURES WHICH HAVE A HIGH DEGREE OF LIGHT FASTNESS AND BUILD-UP DYSTAR L.P. (US) 2012-10-04 US disclosed
EP-0335234-A2 Azo isoathiazole dyes BASF Aktiengesellschaft (DE) 1989-10-04 EP disclosed
EP-0315898-A2 Isothiazole azo dyes BASF Aktiengesellschaft (DE) 1989-05-17 EP disclosed
EP-0315899-A2 Thien-3-yl azo dyes BASF Aktiengesellschaft (DE) 1989-05-17 EP 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-20080189882-A1 Hot-Light Resistant Blue Dispersion Dyes IK, CYBA, ABCC1 ALDH1A1 191/4885TSHR 3479/4885CHRM5 891/4885

“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.