SCHEMBL503391

SCHEMBL503391

CC(C(=O)O)c1ccc2ccccc2c1.c1ccc(C(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.61
AKR1C3 P42330 13/20 0.59
AKR1C2 P52895 13/20 0.59
PTGS2 P35354 5/20 0.59
PTGS1 P23219 5/20 0.59
SLC22A6 Q4U2R8 2/20 0.59
CDC42 P60953 1/20 0.59
RAC1 P63000 1/20 0.59
CYP1A2 P05177 1/20 0.59
TSHR P16473 1/20 0.59
UGT2B7 P16662 1/20 0.53
MAPT P10636 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
CXCR1 P25024 1/20 0.53
CXCR2 P25025 1/20 0.53
RECQL P46063 1/20 0.53
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 1/20 0.53
LMNA P02545 1/20 0.53
CYP3A4 P08684 1/20 0.53

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
SCHEMBL30717241 0.93 AKR1B1 (0.69) AKR1B1AKR1C3AKR1C2PTGS2PTGS1
SCHEMBL1217681 0.93 AKR1B1 (0.69) AKR1B1AKR1C3AKR1C2PTGS2PTGS1
SCHEMBL4679446 0.93 AKR1B1 (0.69) AKR1B1AKR1C3AKR1C2PTGS2PTGS1
SCHEMBL12431128 0.93 AKR1B1 (0.69) AKR1B1AKR1C3AKR1C2PTGS2PTGS1
SCHEMBL10025981 0.93 AKR1B1 (0.69) AKR1B1AKR1C3AKR1C2PTGS2PTGS1
Hydrochloric Acid SCHEMBL27401798 0.91 AKR1B1 (0.67) AKR1B1AKR1C3AKR1C2PTGS2PTGS1
SCHEMBL11470486 0.84 AKR1C3 (0.69) AKR1B1AKR1C3AKR1C2PTGS2PTGS1
Naproxen SCHEMBL23753934 0.83 AKR1C3 (0.88) AKR1B1AKR1C3AKR1C2PTGS2PTGS1
Ammonia Solution, Strong SCHEMBL11721423 0.82 AKR1C3 (0.67) AKR1B1AKR1C3AKR1C2PTGS2PTGS1
SCHEMBL15695558 0.82 UGT2B7 (0.60) AKR1B1AKR1C3AKR1C2PTGS2PTGS1

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 23 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
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
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
US-20100003615-A1 UPPER LAYER-FORMING COMPOSITION AND PHOTORESIST PATTERNING METHOD JSR CORPORATION (JP) 2010-01-07 US disclosed
EP-1958993-A1 Phase change inks containing colorant compounds Xerox Corporation (US) 2008-08-20 EP 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 AKR1B1 1963/4885AKR1C3 1660/4885AKR1C2 2523/4885
US-20050090690-A1 Process for preparing tetra-amide compounds TAF9, TAF5, TAF1 AKR1B1 2784/4885AKR1C3 3104/4885AKR1C2 2236/4885

“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.