SCHEMBL5710022

SCHEMBL5710022

CCCCCCCCCCCCCCCCCC(=O)OCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.60
MAPT P10636 2/20 0.55
RAB9A P51151 1/20 0.54
MAPK1 P28482 2/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
TDP1 Q9NUW8 2/20 0.52
BCL9 O00512 1/20 0.50
CTNNB1 P35222 1/20 0.50
KMT2A Q03164 1/20 0.49
GAA P10253 1/20 0.49
MGLL Q99685 1/20 0.49

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
SCHEMBL7544051 1.00 ALDH1A1 (0.60) ALDH1A1MAPTRAB9AMAPK1L3MBTL1
SCHEMBL15388876 0.91 RAB9A (0.61) ALDH1A1MAPTRAB9AMAPK1L3MBTL1
SCHEMBL11039280 0.87 RAB9A (0.55) ALDH1A1MAPTRAB9AMAPK1L3MBTL1
SCHEMBL3814877 0.87 DGKA (0.60) ALDH1A1MAPTKMT2A
SCHEMBL8615885 0.86 ALDH1A1 (0.57) ALDH1A1MAPTTDP1BCL9CTNNB1
SCHEMBL11040079 0.86 RAB9A (0.54) ALDH1A1MAPTRAB9AMAPK1L3MBTL1
SCHEMBL11042219 0.86 RAB9A (0.54) ALDH1A1MAPTRAB9AMAPK1L3MBTL1
SCHEMBL9654481 0.86 RAB9A (0.56) ALDH1A1MAPTRAB9AMAPK1L3MBTL1
SCHEMBL11038488 0.84 RAB9A (0.55) ALDH1A1MAPTRAB9AMAPK1L3MBTL1
SCHEMBL11558839 0.84 ALDH1A1 (0.54) ALDH1A1MAPTRAB9AMAPK1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4865648-A ELECTRON DONOR DYE; ESTER; PHENOL, CARBOXY ACID, PHOSPHATE ESTER, TRIAZOLE KITO TSUTOMU (JP) 1989-09-12 US claimed
US-4720301-A Reversible heat sensitive recording composition PILOT INK CO., LTD. (JP) 1988-01-19 US claimed
CN-108329746-B Compounds for reducing background color in color change compositions 西甘产业股份有限公司 2022-08-02 CN disclosed
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
CN-111272304-A Lower critical temperature indicator 苏州和萃新材料有限公司 2020-06-12 CN 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
CN-109476946-A Optics fadout color-changing composition and its method made and used 西甘产业股份有限公司 2019-03-15 CN 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-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
EP-2772523-A1 REVERSIBLY THERMOCHROMIC COMPOSITION Kabushiki Kaisha Pilot Corporation (JP) 2014-09-03 EP 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
EP-1179435-B1 Reversible thermochromic composition having improved light-fastness and product comprising same PILOT INK CO LTD (JP) 2006-11-29 EP disclosed
US-6638620-B2 Discoloration sensitivity THE PILOT INK CO., LTD. (JP) 2003-10-28 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 ALDH1A1 1999/4885MAPT 593/4885RAB9A 372/4885

“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.