SCHEMBL5357930

SCHEMBL5357930

CCCCCCCCCCCCCCCCCC(=O)Oc1ccc2ccccc2c1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CETP P11597 1/20 0.58
SMN1; SMN2 Q16637 4/20 0.54
NPC1 O15118 1/20 0.54
LMNA P02545 1/20 0.54
RAB9A P51151 1/20 0.54
KMT2A Q03164 4/20 0.53
MEN1 O00255 2/20 0.53
ALDH1A1 P00352 2/20 0.53
CYP1A2 P05177 1/20 0.53
CA2 P00918 3/20 0.52
PDGFRB P09619 1/20 0.51
PDGFRA P16234 1/20 0.51
MAPK1 P28482 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
HDAC1 Q13547 1/20 0.49
PPARG P37231 3/20 0.48
PPARA Q07869 3/20 0.48
HTR1A P08908 1/20 0.48
HTR1B P28222 1/20 0.48

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
SCHEMBL31323022 1.00 CETP (0.58) CETPSMN1; SMN2NPC1LMNARAB9A
SCHEMBL2805693 1.00 CETP (0.58) CETPSMN1; SMN2NPC1LMNARAB9A
SCHEMBL2024341 1.00 CETP (0.58) CETPSMN1; SMN2NPC1LMNARAB9A
SCHEMBL2028353 1.00 CETP (0.58) CETPSMN1; SMN2NPC1LMNARAB9A
SCHEMBL1825948 1.00 CETP (0.58) CETPSMN1; SMN2NPC1LMNARAB9A
SCHEMBL11324211 1.00 CETP (0.58) CETPSMN1; SMN2NPC1LMNARAB9A
SCHEMBL1826963 1.00 CETP (0.58) CETPSMN1; SMN2NPC1LMNARAB9A
SCHEMBL17702569 1.00 CETP (0.58) CETPSMN1; SMN2NPC1LMNARAB9A
SCHEMBL22166729 1.00 CETP (0.58) CETPSMN1; SMN2NPC1LMNARAB9A
SCHEMBL31275248 1.00 CETP (0.58) CETPSMN1; SMN2NPC1LMNARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1435978-B1 ESTERS OF AROMATIC ALKOXYLATED ALCOHOLS AND FATTY CARBOXYLIC ACIDS CRODA INC (US) 2014-09-03 EP disclosed
CN-1571765-B Esters of aromatic alkoxylated alcohols and fatty carboxylic acids CRODA INC 2012-09-26 CN disclosed
US-7217424-B2 Compositions containing esters of aromatic alkoxylated alcohols and fatty carboxylic acids CRODA, INC. (US) 2007-05-15 US disclosed
EP-1435978-A4 ESTERS OF AROMATIC ALKOXYLATED ALCOHOLS AND FATTY CARBOXYLIC ACIDS CRODA INC (US) 2006-05-17 EP disclosed
US-6987195-B2 Esters of aromatic alkoxylated alcohols and fatty carboxylic acids CRODA, INC. (US) 2006-01-17 US disclosed
CN-1571765-A Esters of aromatic alkoxylated alcohols and fatty carboxylic acids CRODA INC (US) 2005-01-26 CN disclosed
EP-1435978-A2 ESTERS OF AROMATIC ALKOXYLATED ALCOHOLS AND FATTY CARBOXYLIC ACIDS Croda, Inc. (US) 2004-07-14 EP disclosed
US-20030181744-A1 Esters of aromatic alkoxylated alcohols and fatty carboxylic acids CRODA, INC. 2003-09-25 US disclosed
US-20030161792-A1 Compositions containing esters of aromatic alkoxylated alcohols and fatty carboxylic acids CRODA, INC. 2003-08-28 US disclosed
WO-2003032919-A2 ESTERS OF AROMATIC ALKOXYLATED ALCOHOLS AND FATTY CARBOXYLIC ACIDS CRODA, INC. (US) 2003-04-24 WO 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-20030161792-A1 Compositions containing esters of aromatic alkoxylated alcohols and fatty carboxylic acids AHR, ARNT, TYR CETP 1353/4885SMN1; SMN2 4359/4885NPC1 4601/4885
US-20030181744-A1 Esters of aromatic alkoxylated alcohols and fatty carboxylic acids FABP4, CUTA, ALK CETP 208/4885SMN1; SMN2 3252/4885NPC1 2166/4885

“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.