SCHEMBL8084596

SCHEMBL8084596

CCCCCCCCCCCCCCCCC(C(=O)OCC)C1CCCCC1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.57
ALDH1A1 P00352 2/20 0.45
NAAA Q02083 3/20 0.43
NPSR1 Q6W5P4 1/20 0.42
EPHX1 P07099 8/20 0.41
EPHX2 P34913 2/20 0.41
CYP2D6 P10635 1/20 0.40
ZDHHC7 Q9NXF8 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
SCHEMBL28825960 0.94 TSHR (0.52) TSHRALDH1A1NAAANPSR1EPHX1
SCHEMBL11576811 0.89 TSHR (0.48) TSHRALDH1A1NAAAEPHX1EPHX2
SCHEMBL30801441 0.88 ZDHHC7 (0.50) TSHRALDH1A1NAAAEPHX1EPHX2
SCHEMBL3917565 0.87 TSHR (0.48) TSHRALDH1A1NPSR1CYP2D6
SCHEMBL772352 0.87 CPB2 (0.41) TSHRALDH1A1NPSR1CYP2D6ZDHHC7
SCHEMBL38665252 0.86 ZDHHC7 (0.51) TSHRNAAAEPHX1EPHX2ZDHHC7
SCHEMBL872973 0.85 TSHR (0.48) TSHRALDH1A1NAAANPSR1EPHX1
SCHEMBL9066436 0.84 EPHX2 (0.49) TSHRNAAANPSR1EPHX2
SCHEMBL9491679 0.83 NAAA (0.53) TSHRALDH1A1NAAAEPHX1EPHX2
SCHEMBL11576818 0.82 NAAA (0.52) TSHRALDH1A1NAAAEPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11225100-B2 Tunable directional color transition compositions and methods of making and using the same SEGAN INDUSTRIES, INC. (US) 2022-01-18 US disclosed
EP-2969582-B1 COMPOUNDS FOR REDUCING BACKGROUND COLOR IN COLOR CHANGE COMPOSITIONS SEGAN IND INC (US) 2021-06-02 EP disclosed
US-10570294-B2 Compounds for reducing background color in color change compositions SEGAN INDUSTRIES, INC. (US) 2020-02-25 US disclosed
US-20190204280-A1 Tunable Directional Color Transition Compositions and Methods of Making and Using the Same SEGAN INDUSTRIES, INC. 2019-07-04 US disclosed
US-20190142713-A1 Optical Evanescent Color Change Compositions and Methods of Making and Using the Same SEGAN INDUSTRIES, INC. 2019-05-16 US disclosed
EP-3443042-A1 OPTICAL EVANESCENT COLOR CHANGE COMPOSITIONS AND METHODS OF MAKING AND USING THE SAME Segan Industries, Inc. (US) 2019-02-20 EP disclosed
US-10168307-B1 Tunable directional color transition compositions and methods of making and using the same SEGAN INDUSTRIES, INC. (US) 2019-01-01 US disclosed
WO-2017180898-A1 OPTICAL EVANESCENT COLOR CHANGE COMPOSITIONS AND METHODS OF MAKING AND USING THE SAME SEGAN INDUSTRIES, INC. (US) 2017-10-19 WO disclosed
US-9709539-B2 Tunable directional color transition compositions and methods of making and using the same SEGAN INDUSTRIES, INC. (US) 2017-07-18 US disclosed
US-20170066931-A1 Compounds for Reducing Background Color in Color Change Compositions SEGAN INDUSTRIES, INC. 2017-03-09 US disclosed
US-9528004-B2 Compounds for reducing background color in color change compositions SEGAN INDUSTRIES, INC. (US) 2016-12-27 US disclosed
US-20160200930-A1 Tunable Directional Color Transition Compositions and Methods of Making and Using the Same SEGAN INDUSTRIES, INC. 2016-07-14 US disclosed
EP-2969582-A1 COMPOUNDS FOR REDUCING BACKGROUND COLOR IN COLOR CHANGE COMPOSITIONS Segan Industries, Inc. (US) 2016-01-20 EP disclosed
US-9217736-B2 Tunable directional color transition compositions and methods of making and using the same SEGAN INDUSTRIES, INC. (US) 2015-12-22 US disclosed
US-20140275381-A1 COMPOUNDS FOR REDUCING BACKGROUND COLOR IN COLOR CHANGE COMPOSITIONS SEGAN INDUSTRIES, INC. 2014-09-18 US disclosed
WO-2014144693-A1 COMPOUNDS FOR REDUCING BACKGROUND COLOR IN COLOR CHANGE COMPOSITIONS SEGAN INDUSTRIES, INC. (US) 2014-09-18 WO disclosed
US-8569208-B1 Tunable directional color transition compositions and methods of making and using the same SEGAN INDUSTRIES, INC. (US) 2013-10-29 US disclosed
US-6165234-A FOR IMPARTING REVERSIBLE COLOR CHANGES TO WAXES AND CANDLES WHEN HEATED OR WHEN WAX MELTS OR WHEN THE CANDLE BURNS KANAKKANATT SEBASTIAN V (US) 2000-12-26 US disclosed
US-4865648-A ELECTRON DONOR DYE; ESTER; PHENOL, CARBOXY ACID, PHOSPHATE ESTER, TRIAZOLE KITO TSUTOMU (JP) 1989-09-12 US disclosed
US-4720301-A Reversible heat sensitive recording composition PILOT INK CO., LTD. (JP) 1988-01-19 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 (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-20190142713-A1 Optical Evanescent Color Change Compositions and Methods of Making and Using the Same ERCC1, XPA, ERCC5 TSHR 3827/4885ALDH1A1 1999/4885NAAA 3816/4885

“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.