SCHEMBL2914675

SCHEMBL2914675

O=C(O)C=C(F)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 1/20 0.46
CES1 P23141 4/20 0.46
ALDH1A1 P00352 2/20 0.46
CES2 O00748 2/20 0.46
TSHR P16473 2/20 0.46
DAO P14920 1/20 0.46
NAPRT Q6XQN6 1/20 0.46
CA2 P00918 3/20 0.45
CA12 O43570 2/20 0.45
CA1 P00915 2/20 0.45
CA9 Q16790 2/20 0.45
TDP1 Q9NUW8 3/20 0.44
MAPK1 P28482 2/20 0.44
AKR1C1 Q04828 1/20 0.43
AKT1 P31749 1/20 0.43
CYP3A4 P08684 2/20 0.42
MAPT P10636 2/20 0.42
CA4 P22748 2/20 0.42
POLB P06746 1/20 0.42
PARP1 P09874 1/20 0.42

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
SCHEMBL28827764 1.00 NFE2L2 (0.46) NFE2L2CES1ALDH1A1CES2TSHR
Fluoride SCHEMBL11179978 0.98 NFE2L2 (0.45) NFE2L2CES1ALDH1A1CES2TSHR
Ethane SCHEMBL7067755 0.96 MEN1 (0.44) NFE2L2CES1ALDH1A1CES2TSHR
SCHEMBL7074206 0.87 SMN1; SMN2 (0.50) ALDH1A1MAPK1MAPTPOLBL3MBTL1
SCHEMBL7072098 0.82 PARP10 (0.55) ALDH1A1POLBSMN1; SMN2
SCHEMBL7071041 0.82 CES2 (0.50) CES1ALDH1A1CES2CA2CA1
SCHEMBL6832826 0.82 NFE2L2 (0.43) NFE2L2CES1ALDH1A1CES2TSHR
SCHEMBL8387743 0.82 MAPT (0.50) ALDH1A1CES2CA2CA12CA1
SCHEMBL7071425 0.80 ALDH1A1 (0.52) CES1ALDH1A1CES2CA2TDP1
SCHEMBL7071606 0.80 CYP1A2 (0.50) CES1ALDH1A1CES2CA2CA1

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 103 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-20060000778-A1 high-performance membrane designed for the selective removal of a polar fluid (water) from less polar fluids (organic solvents), by a pervaporation using a composite membrane contaiing ultrafiltration membrane as support ( e.g. cellulose acetate) and a crosslinked copolymer of anionic, cationic monomers MCMASTER UNIVERSITY (CA) 2006-01-05 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-20040147493-A1 Synergistic compositions for the selective control of tumor tissue KREUTZ WERNER 2004-07-29 US claimed
US-20030166621-A1 Synergistic mixture comprising benzoic acid derivatives for use as anticarcinogenic agents, antitumor agents KREUTZ WERNER (DE) 2003-09-04 US claimed
EP-0946492-B1 NOVEL 2-FLUOROACRYLIC ACID DERIVATIVES, NOVEL MIXTURES OF HERBICIDES AND ANTIDOTES AND THE USE THEREOF BAYER CROPSCIENCE GMBH (DE) 2003-06-18 EP claimed
US-5972839-A MIXTURE WITH PLANT SAFENING AGENT HOECHST SCHERING AGREVO GMBH (DE) 1999-10-26 US claimed
US-20250327097-A1 ORGANISMS PRODUCING LESS CROTONIC ACID GLOBAL BIOENERGIES (FR) 2025-10-23 US disclosed
CN-120081810-A Hydrocarbon bond fluoroalkenyl reaction without metal participation under mild condition 滁州学院 2025-06-03 CN disclosed
EP-4399284-A1 ORGANISMS PRODUCING LESS CROTONIC ACID Global Bioenergies (FR) 2024-07-17 EP disclosed
EP-0480969-A1 AMINO ACID ANALOG CCK ANTAGONISTS ABBOTT LABORATORIES (US) 1992-04-22 EP disclosed
WO-1991000725-A2 AMINO ACID ANALOG CCK ANTAGONISTS ABBOTT LABORATORIES (US) 1991-01-24 WO disclosed
US-4670584-A PHENYLALANINE DERIVATIVES FOR INSULIN AND OTHER DRUGS AJINOMOTO COMPANY INCORPORATED (JP) 1987-06-02 US disclosed
US-4652657-A Chiral rhodium-diphosphine complexes HOFFMANN-LA ROCHE INC. (US) 1987-03-24 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 NFE2L2 1266/4885CES1 3489/4885ALDH1A1 1569/4885
US-20050090690-A1 Process for preparing tetra-amide compounds TAF9, TAF5, TAF1 NFE2L2 3435/4885CES1 3786/4885ALDH1A1 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.