SCHEMBL1002273

SCHEMBL1002273

CC(C)c1cc(C(=O)N(C)C)cc(C(C)C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FABP3 P05413 2/20 0.41
▸ FABP4 P15090 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ PDE9A O76083 1/20 0.37
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ FABP5 Q01469 1/20 0.35
▸ HSP90AA1 P07900 2/20 0.35
▸ HSP90AB1 P08238 1/20 0.35
▸ BRD4 O60885 1/20 0.35
▸ PDK1 Q15118 3/20 0.35
▸ TLR8 Q9NR97 1/20 0.35
▸ TLR7 Q9NYK1 1/20 0.35
▸ ERN1 O75460 1/20 0.34
▸ OPRD1 P41143 1/20 0.33
▸ PDK2 Q15119 1/20 0.33
▸ RXRA P19793 1/20 0.33
▸ RXRB P28702 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
SCHEMBL19651823 0.88 TPMT (0.38) FABP3FABP4ALDH1A1HPGDSMN1; SMN2
SCHEMBL12545686 0.87 CES2 (0.42) FABP3FABP4ALDH1A1HPGDSMN1; SMN2
SCHEMBL13130586 0.82 TACR1 (0.49) ALDH1A1NPC1RAB9A
SCHEMBL4734654 0.80 RXRA (0.47) ALDH1A1HPGDSMN1; SMN2PDK1ERN1
SCHEMBL12015751 0.79 SMN1; SMN2 (0.41) ALDH1A1HPGDSMN1; SMN2PDE9ANPC1
SCHEMBL103818 0.78 SMN1; SMN2 (0.55) ALDH1A1HPGDSMN1; SMN2NPC1RAB9A
SCHEMBL12221612 0.78 SMN1; SMN2 (0.52) ALDH1A1HPGDSMN1; SMN2HSP90AA1BRD4
SCHEMBL14590877 0.78 HSP90AA1 (0.54) ALDH1A1HPGDSMN1; SMN2HSP90AA1HSP90AB1
SCHEMBL13681507 0.77 TLR8 (0.43) ALDH1A1HPGDSMN1; SMN2PDE9ANPC1
SCHEMBL8146335 0.75 CA5A (0.48) FABP3FABP4HPGDNPC1RAB9A

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 FABP3 848/4885FABP4 1095/4885ALDH1A1 1816/4885
US-20110015461-A1 Ionic Liquids for Separation of Olefin-Paraffin Mixtures POU2F1, POU2F2, POF1B FABP3 848/4885FABP4 1095/4885ALDH1A1 1816/4885

“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.

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