SCHEMBL503390

SCHEMBL503390

CC(C(=O)O)(c1cccc2ccccc12)C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.46
HSD17B10 Q99714 2/20 0.46
ALDH1A1 P00352 2/20 0.46
PPARG P37231 3/20 0.44
PPARA Q07869 3/20 0.44
KIF11 P52732 1/20 0.44
ACP3 P15309 1/20 0.43
NR4A1 P22736 1/20 0.41
NR4A2 P43354 1/20 0.41
NR4A3 Q92570 1/20 0.41
CYP2C19 P33261 3/20 0.40
CYP2C9 P11712 2/20 0.40
PPARD Q03181 1/20 0.40
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
HPGD P15428 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
HIF1A Q16665 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL10708482 0.80 KDM4E (0.49) KDM4EHSD17B10ALDH1A1PPARGPPARA
SCHEMBL4592424 0.78 KDM4E (0.53) KDM4EHSD17B10ALDH1A1PPARGPPARA
SCHEMBL4678773 0.78 KDM4E (0.53) KDM4EHSD17B10ALDH1A1PPARGPPARA
SCHEMBL7287554 0.78 KDM4E (0.53) KDM4EHSD17B10ALDH1A1PPARGPPARA
SCHEMBL11601001 0.76 KIF11 (0.48) KDM4EHSD17B10ALDH1A1PPARGPPARA
SCHEMBL668729 0.76 KDM4E (0.51) KDM4EHSD17B10ALDH1A1PPARGPPARA
SCHEMBL2187746 0.75 HSD17B10 (0.43) HSD17B10ALDH1A1KIF11ACP3NR4A1
SCHEMBL146376 0.75 KDM4E (0.50) KDM4EHSD17B10ALDH1A1PPARGPPARA
SCHEMBL29081148 0.75 KDM4E (0.50) KDM4EHSD17B10ALDH1A1PPARGPPARA
SCHEMBL4592642 0.75 CYP2C9 (0.52) KDM4EHSD17B10ALDH1A1PPARGPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7732625-B2 Colorant compounds XEROX CORPORATION (US) 2010-06-08 US claimed
US-7311767-B2 Forming a salt of a liquid phase change ink carrier of stearyl stearamide, an amine substituted Xanthene, acridine, anthracene or thioxanthene chromogen, and a metal salt capable of forming a compound with two chromogens XEROX CORPORATION (US) 2007-12-25 US claimed
US-7033424-B2 Phase change inks XEROX CORPORATION (US) 2006-04-25 US claimed
US-20060021546-A1 Processes for preparing phase change inks XEROX CORPORATION 2006-02-02 US claimed
US-20060020141-A1 Metallized dye XEROX CORPORATION 2006-01-26 US claimed
US-20060016369-A1 PHASE CHANGE INKS XEROX CORPORATION 2006-01-26 US claimed
US-6946025-B2 Process for preparing tetra-amide compounds XEROX CORPORATION (US) 2005-09-20 US claimed
US-20050090690-A1 Process for preparing tetra-amide compounds XEROX CORPORATION 2005-04-28 US claimed
CN-102317757-B OPTICALLY ACTIVE FUNCTIONAL FLUID MARKERS LUBRIZOL CORP 2015-02-18 CN disclosed
US-8435718-B2 Upper layer-forming composition and photoresist patterning method JSR CORPORATION (JP) 2013-05-07 US disclosed
US-20120028198-A1 UPPER LAYER-FORMING COMPOSITION AND PHOTORESIST PATTERNING METHOD JSR CORPORATION (JP) 2012-02-02 US disclosed
CN-102317757-A Optical activity functional fluid label LUBRIZOL CORP 2012-01-11 CN disclosed
EP-1956054-B1 Phase change ink XEROX CORP (US) 2010-11-24 EP disclosed
US-7732625-B2 Colorant compounds XEROX CORPORATION (US) 2010-06-08 US disclosed
EP-1950610-A1 COMPOSITION FOR FORMING UPPER FILM AND METHOD FOR FORMING PHOTORESIST PATTERN JSR Corporation (JP) 2008-07-30 EP disclosed
US-7311767-B2 Forming a salt of a liquid phase change ink carrier of stearyl stearamide, an amine substituted Xanthene, acridine, anthracene or thioxanthene chromogen, and a metal salt capable of forming a compound with two chromogens XEROX CORPORATION (US) 2007-12-25 US disclosed
US-7033424-B2 Phase change inks XEROX CORPORATION (US) 2006-04-25 US disclosed
US-20060021546-A1 Processes for preparing phase change inks XEROX CORPORATION 2006-02-02 US disclosed
US-20060020141-A1 Metallized dye XEROX CORPORATION 2006-01-26 US disclosed
US-20060016369-A1 PHASE CHANGE INKS XEROX CORPORATION 2006-01-26 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-20060020141-A1 Metallized dye CDYL, CDY1; CDY1B, CDYL2 KDM4E 1814/4885HSD17B10 2219/4885ALDH1A1 1569/4885
US-20050090690-A1 Process for preparing tetra-amide compounds TAF9, TAF5, TAF1 KDM4E 1567/4885HSD17B10 2365/4885ALDH1A1 1723/4885

“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.