SCHEMBL250425

SCHEMBL250425

CC1CCCc2c(C(=O)O)ccc(C(=O)O)c2CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.40
ALDH1A1 P00352 6/20 0.39
NPC1 O15118 5/20 0.39
RAB9A P51151 5/20 0.39
MAPT P10636 4/20 0.39
KDM4E B2RXH2 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
POLB P06746 1/20 0.39
HTT P42858 2/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
RCE1 Q9Y256 1/20 0.39
KMT2A Q03164 3/20 0.38
TP53 P04637 1/20 0.38
USP2 O75604 1/20 0.37
GAA P10253 1/20 0.35
ACHE P22303 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
Phthalic Acid SCHEMBL6667351 0.94 ALDH1A1 (0.44) ALDH1A1NPC1RAB9AMAPTKDM4E
Maleic Acid SCHEMBL9283503 0.92 NPC1 (0.38) CYP1A2ALDH1A1NPC1RAB9AMAPT
Trifluoroacetic Acid SCHEMBL9277672 0.91 ALDH1A1 (0.35) CYP1A2ALDH1A1NPC1RAB9AMAPT
SCHEMBL5499018 0.84 KMT2A (0.44) CYP1A2ALDH1A1NPC1RAB9AMAPT
SCHEMBL10885795 0.81 NPC1 (0.41) CYP1A2ALDH1A1NPC1RAB9AMAPT
SCHEMBL87519 0.78 CYP1A2 (0.57) CYP1A2ALDH1A1NPC1RAB9AMAPT
SCHEMBL251512 0.78 CYP1A2 (0.57) CYP1A2ALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL3091854 0.76 CYP1A2 (0.55) CYP1A2ALDH1A1NPC1RAB9AMAPT
SCHEMBL195800 0.76 CYP1A2 (0.55) CYP1A2ALDH1A1NPC1RAB9AMAPT
Cyclohexane SCHEMBL1538047 0.76 CYP1A2 (0.55) CYP1A2ALDH1A1NPC1RAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9760032-B1 Toner composition and process XEROX CORPORATION (US) 2017-09-12 US claimed
US-20170248859-A1 TONER COMPOSITION AND PROCESS U.S. BANK TRUST COMPANY, NATIONAL ASSOCIATION, AS COLLATERAL AGENT 2017-08-31 US claimed
US-9188895-B2 Toner additives for improved charging XEROX CORPORATION (US) 2015-11-17 US claimed
US-20150168861-A1 TONER ADDITIVES FOR IMPROVED CHARGING XEROX CORPORATION (US) 2015-06-18 US claimed
US-8088544-B2 Core-shell polymer nanoparticles and method of making emulsion aggregation particles using same XEROX CORPORATION (US) 2012-01-03 US claimed
US-8034527-B2 Core-shell polymer nanoparticles and method for making emulsion aggregation particles using same XEROX CORPORATION (US) 2011-10-11 US claimed
US-7998649-B2 Grafting functionalized pearlescent or metallic pigment onto polyester polymers for special effect images XEROX CORPORATION (US) 2011-08-16 US claimed
EP-1975729-B1 Tonerprocesses XEROX CORP (US) 2010-11-10 EP claimed
US-7749673-B2 Toner processes XEROX CORPORATION (US) 2010-07-06 US claimed
US-20090220880-A1 GRAFTING FUNCTIONALIZED PEARLESCENT OR METALLIC PIGMENT ONTO POLYESTER POLYMERS FOR SPECIAL EFFECT IMAGES XEROX CORPORATION (US) 2009-09-03 US claimed
US-20090053644-A1 CORE-SHELL POLYMER NANOPARTICLES AND METHOD FOR MAKING EMULSION AGGREGATION PARTICLES USING SAME XEROX CORPORATION (US) 2009-02-26 US claimed
US-20090035686-A1 CORE-SHELL POLYMER NANOPARTICLES AND METHOD OF MAKING EMULSION AGGREGATION PARTICLES USING SAME XEROX CORPORATION (US) 2009-02-05 US claimed
US-20080236446-A1 Toner processes XEROX CORPORATION 2008-10-02 US claimed
EP-1975729-A1 Tonerprocesses Xerox Corporation (US) 2008-10-01 EP claimed
US-20080197283-A1 EMULSION AGGREGATION TONER COMPOSITIONS AND DEVELOPERS XEROX CORPORATION (US) 2008-08-21 US claimed
JP-7064329-A None JP disclosed
EP-3367170-B1 TONER COMPOSITIONS XEROX CORP (US) 2019-09-25 EP disclosed
JP-H0764329-A POLYESTER HAVING UNSATURATED END GROUP FOR TONER RESIN XEROX CORP 1995-03-10 JP disclosed
EP-0641300-A1 HYDROCHLOROFLUOROCARBONS HAVING OH RATE CONSTANTS WHICH DO NOT CONTRIBUTE SUBSTANTIALLY TO OZONE DEPLETION AND GLOBAL WARMING AlliedSignal Inc. (US) 1995-03-08 EP disclosed
US-5391452-A Polyester toner and developer compositions XEROX CORPORATION (US) 1995-02-21 US disclosed