SCHEMBL1002938

SCHEMBL1002938

Cc1cc(C(N)=O)cc(C)c1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.48
CHRM1 P11229 1/20 0.48
ALOX15 P16050 1/20 0.48
MAOA P21397 1/20 0.48
TBXA2R P21731 1/20 0.48
ADRA1A P35348 1/20 0.48
HTR2B P41595 1/20 0.48
POLB P06746 2/20 0.44
PARP1 P09874 4/20 0.43
OGG1 O15527 1/20 0.42
LMNA P02545 3/20 0.41
HTT P42858 2/20 0.41
MCL1 Q07820 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
MAPT P10636 3/20 0.39
TSHR P16473 4/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
CYP2C19 P33261 1/20 0.37
RECQL P46063 1/20 0.37

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
SCHEMBL16282023 0.81 NPFFR2 (0.38) POLBPARP1
SCHEMBL19437465 0.81 LMNA (0.53) CYP3A4POLBPARP1LMNASMN1; SMN2
SCHEMBL10831613 0.80 PARP1 (0.46) CYP3A4POLBPARP1HTTSMN1; SMN2
SCHEMBL18471225 0.80 SMN1; SMN2 (0.49) CYP3A4POLBPARP1HTTSMN1; SMN2
SCHEMBL4507939 0.78 TPMT (0.54) CYP3A4CHRM1ALOX15MAOATBXA2R
SCHEMBL1004660 0.78 PARP1 (0.50) CYP3A4POLBPARP1LMNAHTT
SCHEMBL2786636 0.78 CYP3A4 (0.50) CYP3A4CHRM1ALOX15MAOATBXA2R
SCHEMBL3220166 0.78 CA1 (0.48) CYP3A4PARP1LMNASMN1; SMN2MAPT
SCHEMBL1397262 0.78 POLB (0.50) CYP3A4POLBPARP1LMNAHTT
SCHEMBL1003411 0.76 PARP1 (0.43) CYP3A4POLBPARP1LMNAHTT

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 CYP3A4 1916/4885CHRM1 257/4885ALOX15 799/4885
US-20110015461-A1 Ionic Liquids for Separation of Olefin-Paraffin Mixtures POU2F1, POU2F2, POF1B CYP3A4 1916/4885CHRM1 257/4885ALOX15 799/4885

“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.