SCHEMBL1004036

SCHEMBL1004036

CNC(=O)c1cc(C)c(Cl)c(C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 3/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ CYP3A4 P08684 1/20 0.44
▸ CHRM1 P11229 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ MAOA P21397 1/20 0.44
▸ TBXA2R P21731 1/20 0.44
▸ ADRA1A P35348 1/20 0.44
▸ HTR2B P41595 1/20 0.44
▸ HDAC8 Q9BY41 2/20 0.43
▸ HDAC6 Q9UBN7 2/20 0.43
▸ HDAC2 Q92769 1/20 0.43
▸ AKT1 P31749 1/20 0.42
▸ TSHR P16473 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ MMP13 P45452 1/20 0.40
▸ OGG1 O15527 1/20 0.40
▸ PLK1 P53350 3/20 0.39
▸ SLC6A2 P23975 1/20 0.39

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
SCHEMBL6364562 0.84 HDAC6 (0.48) HPGDALDH1A1HDAC8HDAC6HDAC2
SCHEMBL27398256 0.80 HDAC8 (0.45) HPGDALDH1A1CYP3A4HDAC8HDAC6
SCHEMBL23973915 0.79 ALDH1A1 (0.49) HPGDALDH1A1HDAC8HDAC6HDAC2
SCHEMBL1001989 0.78 HDAC6 (0.44) HPGDALDH1A1HDAC8HDAC6HDAC2
SCHEMBL21438582 0.78 HDAC6 (0.48) HPGDALDH1A1HDAC8HDAC6HDAC2
SCHEMBL1005961 0.78 HDAC6 (0.43) HPGDALDH1A1CYP3A4HDAC8HDAC6
SCHEMBL15262165 0.78 HDAC8 (0.43) HPGDALDH1A1HDAC8HDAC6HDAC2
SCHEMBL4478521 0.78 HDAC8 (0.60) HPGDALDH1A1HDAC8HDAC6HDAC2
SCHEMBL11959873 0.78 TAS1R3 (0.59) HPGDHDAC8HDAC6HDAC2TSHR
Hydrochloric Acid SCHEMBL8507405 0.77 AKT1 (0.40) HPGDALDH1A1CYP3A4CHRM1ALOX15

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 3260/4885ALDH1A1 1816/4885CYP3A4 1916/4885
US-20110015461-A1 Ionic Liquids for Separation of Olefin-Paraffin Mixtures POU2F1, POU2F2, POF1B HPGD 3260/4885ALDH1A1 1816/4885CYP3A4 1916/4885

“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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