SCHEMBL1004408

SCHEMBL1004408

Cc1cc(C)c(C(=O)N(C)CC(C)C)c(C)c1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MCOLN3 Q8TDD5 1/20 0.45
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PIK3CA P42336 1/20 0.36
KDM4E B2RXH2 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NAMPT P43490 1/20 0.35
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
MLYCD O95822 1/20 0.33
TAS1R3 Q7RTX0 2/20 0.33
TAS1R1 Q7RTX1 2/20 0.33
TAS1R2 Q8TE23 2/20 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
SCHEMBL1002896 0.76 CRHR1 (0.48) HPGDNPSR1MCOLN3MEN1KMT2A
SCHEMBL1004853 0.74 HPGD (0.46) HPGDNPSR1MCOLN3MEN1KMT2A
SCHEMBL1003141 0.74 CSNK2A2 (0.45) HPGDMEN1KMT2ALMNASMN1; SMN2
SCHEMBL14688458 0.71 HPGD (0.57) HPGDMEN1KMT2ASMN1; SMN2NAMPT
SCHEMBL18735613 0.70 KMT2A (0.47) HPGDMEN1KMT2ALMNAPIK3CA
SCHEMBL11895218 0.69 FFAR1 (0.55) HPGDNPSR1MCOLN3MEN1KMT2A
SCHEMBL1003369 0.69 HPGD (0.69) HPGDNPSR1MCOLN3MEN1KMT2A
SCHEMBL20460552 0.69 PDK2 (0.41) SMN1; SMN2PIK3CA
SCHEMBL5997084 0.67 HPGD (0.43) HPGDNPSR1MCOLN3MEN1KMT2A
SCHEMBL1003650 0.67 NAMPT (0.55) HPGDMEN1KMT2ANAMPTALDH1A1

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 4 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
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 HPGD 3260/4885NPSR1 1384/4885MCOLN3 54/4885
US-20110015461-A1 Ionic Liquids for Separation of Olefin-Paraffin Mixtures POU2F1, POU2F2, POF1B HPGD 3260/4885NPSR1 1384/4885MCOLN3 54/4885

“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.