SCHEMBL1280029

SCHEMBL1280029

COCCOCCCN1CC(C(=O)O)CC1=O

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
CYP3A4 P08684 3/20 0.45
CYP2C19 P33261 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
RECQL P46063 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.43
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MAPT P10636 1/20 0.41
BRD4 O60885 1/20 0.40

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
SCHEMBL15082401 0.93 POLB (0.53) POLBSMN1; SMN2CYP3A4CYP2C19CYP1A2
SCHEMBL8294064 0.92 POLB (0.55) POLBSMN1; SMN2CYP3A4CYP2C19CYP1A2
SCHEMBL15082390 0.88 POLB (0.48) POLBSMN1; SMN2CYP3A4CYP2C19CYP1A2
SCHEMBL8294063 0.86 CYP2C19 (0.57) POLBSMN1; SMN2CYP3A4CYP2C19CYP1A2
SCHEMBL8294536 0.86 POLB (0.58) POLBSMN1; SMN2CYP3A4L3MBTL1HTT
SCHEMBL15082397 0.85 L3MBTL1 (0.51) POLBSMN1; SMN2CYP3A4CYP2C19CYP1A2
SCHEMBL15082391 0.84 POLB (0.55) POLBSMN1; SMN2L3MBTL1HTTMAPT
SCHEMBL15042193 0.83 BRD4 (0.60) POLBSMN1; SMN2CYP3A4CYP2C19CYP1A2
SCHEMBL31537602 0.82 POLB (0.60) POLBSMN1; SMN2CYP2C19L3MBTL1HTT
SCHEMBL15082395 0.82 POLB (0.60) POLBSMN1; SMN2CYP2C19L3MBTL1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2446003-A1 POLYALKYLENE GLYCOL-BASED ETHER PYRROLIDONE CARBOXYLIC ACIDS, AND CONCENTRATES FOR THE PRODUCTION OF SYNTHETIC COOLING LUBRICANTS CONTAINING THE SAME Clariant Finance (BVI) Limited (VG) 2012-05-02 EP disclosed
US-20120088705-A1 POLYALKYLENE GLYCOL-BASED ETHER PYRROLIDONE CARBOXYLIC ACIDS, AND CONCENTRATES FOR THE PRODUCTION OF SYNTHETIC COOLING LUBRICANTS CONTAINING THE SAME CLARIANT FINANCE (BVI) LIMITED (VG) 2012-04-12 US disclosed
WO-2010149252-A1 POLYALKYLENE GLYCOL-BASED ETHER PYRROLIDONE CARBOXYLIC ACIDS, AND CONCENTRATES FOR THE PRODUCTION OF SYNTHETIC COOLING LUBRICANTS CONTAINING THE SAME CLARIANT INTERNATIONAL LTD (CH) 2010-12-29 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 (1 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-20120088705-A1 POLYALKYLENE GLYCOL-BASED ETHER PYRROLIDONE CARBOXYLIC ACIDS, AND CONCENTRATES FOR THE PRODUCTION OF SYNTHETIC COOLING LUBRICANTS CONTAINING THE SAME F12, ADH1A, ADH1C POLB 1036/4885SMN1; SMN2 4112/4885CYP3A4 2345/4885

“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.