SCHEMBL17758155

SCHEMBL17758155

C#CCOCc1ccc(C(=O)N(C)C)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 1/20 0.50
▸ ALDH1A1 P00352 6/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ HPGD P15428 2/20 0.46
▸ MAOA P21397 1/20 0.43
▸ MAOB P27338 1/20 0.43
▸ PYCR1 P32322 1/20 0.42
▸ EPHX2 P34913 1/20 0.40
▸ NR1H4 Q96RI1 1/20 0.40
▸ TBXAS1 P24557 1/20 0.40
▸ ACACB O00763 1/20 0.40
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ PDK1 Q15118 1/20 0.39
▸ PDK2 Q15119 1/20 0.39
▸ PDK3 Q15120 1/20 0.39
▸ PDK4 Q16654 1/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ MAPT P10636 1/20 0.38

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
SCHEMBL865129 0.85 HSD11B1 (0.58) HSD11B1ALDH1A1SMN1; SMN2HPGDMAOB
SCHEMBL22478741 0.82 PYCR1 (0.53) ALDH1A1SMN1; SMN2HPGDMAOAMAOB
SCHEMBL17758158 0.80 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2HPGDNPC1RAB9A
SCHEMBL23035433 0.78 ALDH1A1 (0.48) HSD11B1ALDH1A1SMN1; SMN2HPGDMAOA
SCHEMBL14101266 0.78 HSD11B1 (0.52) HSD11B1ALDH1A1SMN1; SMN2HPGDMAOB
SCHEMBL3423851 0.77 TSHR (0.42) ALDH1A1SMN1; SMN2NPC1LMNA
SCHEMBL16242079 0.76 ALDH1A1 (0.55) HSD11B1ALDH1A1SMN1; SMN2HPGDMAOB
SCHEMBL14100861 0.76 HSD11B1 (0.51) HSD11B1ALDH1A1SMN1; SMN2HPGDMAOB
SCHEMBL16242078 0.75 ALDH1A1 (0.53) HSD11B1ALDH1A1SMN1; SMN2HPGDMAOB
SCHEMBL7745696 0.75 ALDH1A1 (0.53) HSD11B1ALDH1A1SMN1; SMN2HPGDMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11021413-B2 Benzylpropargylether as nitrification inhibitors BASF SE (DE) 2021-06-01 — — US disclosed
US-20210047192-A1 DELAYED RELEASE FORMULATION OF NITRIFICATION INHIBITORS BASF SE (DE) 2021-02-18 — — US disclosed
WO-2019174977-A1 DELAYED RELEASE FORMULATION OF NITRIFICATION INHIBITORS BASF SE (DE) 2019-09-19 — — WO disclosed
EP-3218329-B1 BENZYLPROPARGYLETHER AS NITRIFICATION INHIBITORS BASF SE (DE) 2019-01-09 — — EP disclosed
US-20170313631-A1 BENZYLPROPARGYLETHER AS NITRIFICATION INHIBITORS BASF SE (DE) 2017-11-02 — — US disclosed
US-20170313631-A1 BENZYLPROPARGYLETHER AS NITRIFICATION INHIBITORS BASF SE (DE) 2017-11-02 — — US disclosed
WO-2016075289-A1 BENZYLPROPARGYLETHER AS NITRIFICATION INHIBITORS BASF SE (DE) 2016-05-19 — — WO 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 (3 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-20210047192-A1 DELAYED RELEASE FORMULATION OF NITRIFICATION INHIBITORS NOS1, CYP4F8, NOS2 HSD11B1 578/4885ALDH1A1 4671/4885SMN1; SMN2 2419/4885
US-20170313631-A1 BENZYLPROPARGYLETHER AS NITRIFICATION INHIBITORS NAT1, PAH, PFAS HSD11B1 605/4885ALDH1A1 781/4885SMN1; SMN2 4838/4885
US-11021413-B2 Benzylpropargylether as nitrification inhibitors NAT1, PAH, PFAS HSD11B1 605/4885ALDH1A1 781/4885SMN1; SMN2 4838/4885

“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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