SCHEMBL1003199

SCHEMBL1003199

Cc1cc(C(C)C)cc(C)c1C(N)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.46
FABP3 P05413 2/20 0.45
FABP4 P15090 2/20 0.45
TRPA1 O75762 1/20 0.38
PTGS1 P23219 1/20 0.38
CACNA1C Q13936 1/20 0.38
CYP1A2 P05177 2/20 0.37
FABP5 Q01469 1/20 0.35
KIF11 P52732 1/20 0.35
MAPT P10636 1/20 0.35
LMNA P02545 3/20 0.35
HTT P42858 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
LDHA P00338 1/20 0.34
LDHB P07195 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL23960202 0.87 EIF4A3 (0.41) POLBFABP3FABP4TRPA1PTGS1
SCHEMBL22945695 0.80 FABP3 (0.47) FABP3FABP4TRPA1PTGS1CACNA1C
SCHEMBL8017724 0.78 FABP4 (0.67) POLBFABP3FABP4FABP5KIF11
SCHEMBL1104463 0.77 POLB (0.48) POLBCYP1A2MAPTLMNAMEN1
SCHEMBL6894587 0.77 FABP3 (0.44) POLBFABP3FABP4FABP5KIF11
SCHEMBL580023 0.77 POLB (0.52) POLBCYP1A2MAPTLMNASMN1; SMN2
SCHEMBL1003964 0.75 FABP3 (0.42) FABP3FABP4TRPA1PTGS1CACNA1C
SCHEMBL7530230 0.75 CYP3A4 (0.56) POLBCYP1A2LMNASMN1; SMN2MEN1
SCHEMBL1397262 0.75 POLB (0.50) POLBCYP1A2MAPTLMNAHTT
SCHEMBL12030862 0.74 TRPA1 (0.47) TRPA1PTGS1CACNA1CKIF11LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8778219-B2 Ionic liquids for separation of olefin-paraffin mixtures UT-BATTELLE, LLC (US) 2014-07-15 US disclosed
US-20130338389-A1 IONIC LIQUIDS FOR SEPARATION OF OLEFIN-PARAFFIN MIXTURES UT-BATTELLE, LLC (US) 2013-12-19 US disclosed
US-8535560-B2 Ionic liquids for separation of olefin-paraffin mixtures UT-BATTELLE, LLC (US) 2013-09-17 US disclosed
WO-2011008664-A2 IONIC LIQUIDS FOR SEPARATION OF OLEFIN-PARAFFIN MIXTURES UT-BATTELLE, LLC (US) 2011-01-20 WO disclosed
US-20110015461-A1 Ionic Liquids for Separation of Olefin-Paraffin Mixtures UT-BATTELLE, LLC (US) 2011-01-20 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-20130338389-A1 IONIC LIQUIDS FOR SEPARATION OF OLEFIN-PARAFFIN MIXTURES POU2F1, POU2F2, POF1B POLB 2244/4885FABP3 848/4885FABP4 1095/4885
US-20110015461-A1 Ionic Liquids for Separation of Olefin-Paraffin Mixtures POU2F1, POU2F2, POF1B POLB 2244/4885FABP3 848/4885FABP4 1095/4885

“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.