SCHEMBL1004158

SCHEMBL1004158

CN(C)C(=O)c1cc(F)cc(F)c1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CES2 O00748 3/20 0.54
▸ CES1 P23141 3/20 0.54
▸ ALDH1A1 P00352 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ POLB P06746 1/20 0.41
▸ ERN1 O75460 2/20 0.40
▸ SLC6A3 Q01959 1/20 0.40
▸ HCAR1 Q9BXC0 1/20 0.40
▸ GPBAR1 Q8TDU6 1/20 0.40
▸ KMT2A Q03164 1/20 0.38
▸ BRD9 Q9H8M2 1/20 0.38
▸ PIK3CD O00329 1/20 0.36
▸ PIK3CA P42336 1/20 0.36
▸ PIK3CB P42338 1/20 0.36
▸ PIK3CG P48736 1/20 0.36
▸ NPC1 O15118 1/20 0.36

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
SCHEMBL12846684 0.87 CES2 (0.41) CES2CES1ALDH1A1HPGDSMN1; SMN2
SCHEMBL7895707 0.86 CES2 (0.40) CES2CES1ALDH1A1HPGDSMN1; SMN2
SCHEMBL12852638 0.82 CES2 (0.38) CES2CES1ALDH1A1HPGDSMN1; SMN2
SCHEMBL3764991 0.82 CES2 (0.38) CES2CES1ALDH1A1HPGDSMN1; SMN2
SCHEMBL12545686 0.82 CES2 (0.42) CES2CES1ALDH1A1HPGDSMN1; SMN2
SCHEMBL19657220 0.82 CES2 (0.38) CES2CES1ALDH1A1HPGDSMN1; SMN2
SCHEMBL29821598 0.82 CES2 (0.38) CES2CES1ALDH1A1HPGDSMN1; SMN2
SCHEMBL12221612 0.82 SMN1; SMN2 (0.52) ALDH1A1HPGDSMN1; SMN2ERN1KMT2A
SCHEMBL23384719 0.81 — —
SCHEMBL13151173 0.81 CES2 (0.36) CES2CES1ALDH1A1HPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5846990-A Substituted biphenyl isoxazole sulfonamides BRISTOL-MYERS SQUIBB CO. (US) 1998-12-08 — — US claimed
US-20240308989-A1 PYRAN DERIVATIVES AS CYP11A1 (CYTOCHROME P450 MONOOXYGENASE 11A1) INHIBITORS ORION CORP (FI) 2024-09-19 — — US disclosed
US-12030871-B2 Pyran dervatives as CYP11A1 (cytochrome P450 monooxygenase 11A1) inhibitors ORION CORPORATION (FI) 2024-07-09 — — US disclosed
EP-3558981-A1 PYRAN DERVATIVES AS CYP11A1 (CYTOCHROME P450 MONOOXYGENASE 11A1) INHIBITORS Orion Corporation (FI) 2019-10-30 — — EP disclosed
WO-2018115591-A1 PYRAN DERVATIVES AS CYP11A1 (CYTOCHROME P450 MONOOXYGENASE 11A1) INHIBITORS ORION CORPORATION (FI) 2018-06-28 — — WO disclosed
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 (4 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 CES2 2091/4885CES1 3708/4885ALDH1A1 1816/4885
US-12030871-B2 Pyran dervatives as CYP11A1 (cytochrome P450 monooxygenase 11A1) inhibitors CYP11B1, CYP11B2, CYP4A11 CES2 1975/4885CES1 186/4885ALDH1A1 133/4885
US-20240308989-A1 PYRAN DERIVATIVES AS CYP11A1 (CYTOCHROME P450 MONOOXYGENASE 11A1) INHIBITORS CYP11B1, CYP11B2, CYP4A11 CES2 1975/4885CES1 162/4885ALDH1A1 161/4885
US-20110015461-A1 Ionic Liquids for Separation of Olefin-Paraffin Mixtures POU2F1, POU2F2, POF1B CES2 2091/4885CES1 3708/4885ALDH1A1 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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