SCHEMBL2956191

SCHEMBL2956191

CCCCCCCCCCC(CCCCCCCC)CC(=O)CC

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.52
GPR84 Q9NQS5 7/20 0.48
FFAR1 O14842 2/20 0.47
MAPT P10636 1/20 0.45
LCK P06239 1/20 0.45
PPARD Q03181 1/20 0.45
ZDHHC20 Q5W0Z9 1/20 0.45
ZDHHC2 Q9UIJ5 1/20 0.45
CA2 P00918 1/20 0.44
FFAR4 Q5NUL3 1/20 0.42
ACE2 Q9BYF1 1/20 0.42
FDPS P14324 3/20 0.42
CA1 P00915 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
SCHEMBL6859063 0.98 LMNA (0.48) LMNAGPR84FFAR1MAPTLCK
SCHEMBL6853532 0.96 LMNA (0.48) LMNAGPR84FFAR1MAPTLCK
SCHEMBL6861932 0.94 LMNA (0.45) LMNAGPR84FFAR1MAPTLCK
SCHEMBL6860417 0.89 CA2 (0.46) LMNAGPR84FFAR1MAPTLCK
SCHEMBL11458719 0.83 ALDH1A1 (0.52) CA2CA1
SCHEMBL28683257 0.83 LMNA (0.52) LMNAGPR84FFAR1MAPTLCK
SCHEMBL28131455 0.82 GPR84 (0.53) LMNAGPR84FFAR1MAPTLCK
SCHEMBL28575196 0.81 CA2 (0.48) LMNAGPR84CA2FDPSCA1
SCHEMBL9142345 0.81 ACE2 (0.55) GPR84FFAR1MAPTLCKPPARD
SCHEMBL17002061 0.81 GPR84 (0.68) GPR84FFAR1FFAR4

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7754862-B2 Multi-chromophoric AZO pyridone colorants XEROX CORPORATION (US) 2010-07-13 US disclosed
US-7381253-B2 Multi-chromophoric azo pyridone colorants XEROX CORPORATION (US) 2008-06-03 US disclosed
US-20080071051-A1 MULTI-CHROMOPHORIC AZO PYRIDONE COLORANTS XEROX CORPORATION (US) 2008-03-20 US disclosed
US-20060117991-A1 Phase change inks; piezoelectric printing XEROX CORPORATION 2006-06-08 US disclosed
US-6755902-B2 YELLOW DYE; THERMAL STABILITY; LIGHTFASTNESS; SOLUBILITY; SHARP DURABLE IMAGES; NONCLOGGING XEROX CORPORATION 2004-06-29 US disclosed
US-6696552-B2 AMIDATION BETWEEN PRIMARY AMINE AND ESTER HAVING ELECTRON WITHDRAWING FUNCTIONALITY; CYCLIZATION WITH KETO ESTER XEROX CORPORATION 2004-02-24 US disclosed
US-20040007155-A1 Phase change inks containing azo pyridone colorants XEROX CORPORATION 2004-01-15 US disclosed
US-20040006234-A1 PROCESS FOR PREPARING SUBSTITUTED PYRIDONE COMPOUNDS XEROX CORPORATION 2004-01-08 US disclosed
US-6673139-B1 Phase change inks containing dimeric azo pyridone colorants XEROX CORPORATION 2004-01-06 US disclosed
US-6646111-B1 Phase change inks XEROX CORPORATION 2003-11-11 US disclosed
US-6590082-B1 Color materials used as inks in phase change recording and dyeing of textiles, high spectral emmitance chromogens, electronics, optical and color filters XEROX CORPORATION 2003-07-08 US disclosed
US-6576748-B1 Diazotizing dianiline compound; salt formation, coupling, desalting; reaction with pyridone or dipyridone compound XEROX CORPORATION 2003-06-10 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-20060117991-A1 Phase change inks; piezoelectric printing RB1, CDKN1A, RCC1 LMNA 1205/4885GPR84 4445/4885FFAR1 4766/4885
US-20040006234-A1 PROCESS FOR PREPARING SUBSTITUTED PYRIDONE COMPOUNDS PDXK, DPYD, RRM2B LMNA 1206/4885GPR84 4329/4885FFAR1 3156/4885

“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.