SCHEMBL16774397

SCHEMBL16774397

C#CCOc1cc(C)c(C(=O)OCC)c(C)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.46
SMN1; SMN2 Q16637 4/20 0.42
CYP3A4 P08684 3/20 0.42
TDP1 Q9NUW8 1/20 0.42
KDM4E B2RXH2 4/20 0.42
ALDH1A1 P00352 4/20 0.42
HPGD P15428 3/20 0.42
GAA P10253 3/20 0.42
LMNA P02545 2/20 0.42
NPC1 O15118 1/20 0.42
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
PKM P14618 1/20 0.40
HTT P42858 1/20 0.40
ADORA3 P0DMS8 1/20 0.39
NR1H2 P55055 1/20 0.39
NR1H3 Q13133 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HSD17B10 Q99714 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
SCHEMBL4253373 0.86 POLB (0.49) POLBSMN1; SMN2CYP3A4TDP1KDM4E
SCHEMBL7362801 0.78 POLB (0.60) POLBSMN1; SMN2CYP3A4TDP1KDM4E
SCHEMBL1296287 0.73 CYP3A4 (0.56) POLBSMN1; SMN2CYP3A4TDP1KDM4E
SCHEMBL9523494 0.73 ALDH1A1 (0.53) POLBSMN1; SMN2CYP3A4TDP1KDM4E
SCHEMBL3277897 0.72 SMN1; SMN2 (0.50) POLBSMN1; SMN2CYP3A4TDP1KDM4E
SCHEMBL13934247 0.72 SMN1; SMN2 (0.50) POLBSMN1; SMN2CYP3A4TDP1KDM4E
SCHEMBL22453926 0.72 SMN1; SMN2 (0.52) POLBSMN1; SMN2CYP3A4TDP1KDM4E
SCHEMBL13611414 0.72 MAPT (0.42) POLBSMN1; SMN2CYP3A4TDP1KDM4E
SCHEMBL1085394 0.72 SMN1; SMN2 (0.50) POLBSMN1; SMN2CYP3A4TDP1KDM4E
SCHEMBL29255765 0.71 CYP1A2 (0.50) POLBSMN1; SMN2TDP1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220117231-A1 Combination of Novel Nitrification Inhibitors and Herbicides as Well as Combination of (Thio)Phosphoric Acid Triamides and Herbicides BASF SE (DE) 2022-04-21 US disclosed
US-9968092-B2 Combination of novel nitrification inhibitors and biopesticides as well as combination of (thio)phosphoric acid triamides and biopesticides BASF SE (DE) 2018-05-15 US disclosed
US-9968092-B2 Combination of novel nitrification inhibitors and biopesticides as well as combination of (thio)phosphoric acid triamides and biopesticides BASF SE (DE) 2018-05-15 US disclosed
US-20170223964-A1 Combination of Novel Nitrification Inhibitors and Herbicides as Well as Combination of (Thio)Phosphoric Acid Triamides and Herbicides BASF SE (DE) 2017-08-10 US disclosed
US-20170223964-A1 Combination of Novel Nitrification Inhibitors and Herbicides as Well as Combination of (Thio)Phosphoric Acid Triamides and Herbicides BASF SE (DE) 2017-08-10 US disclosed
US-20170181435-A1 Combination of Novel Nitrification Inhibitors and Biopesticides as Well as Combination of (Thio)Phosphoric Acid Triamides and Biopesticides BASF SE (DE) 2017-06-29 US disclosed
US-20170181435-A1 Combination of Novel Nitrification Inhibitors and Biopesticides as Well as Combination of (Thio)Phosphoric Acid Triamides and Biopesticides BASF SE (DE) 2017-06-29 US disclosed
US-20170036969-A1 NITRIFICATION INHIBITORS BASF SE (DE) 2017-02-09 US disclosed
US-20170036969-A1 NITRIFICATION INHIBITORS BASF SE (DE) 2017-02-09 US disclosed
WO-2015158853-A1 NOVEL NITRIFICATION INHIBITORS BASF SE (DE) 2015-10-22 WO disclosed
WO-2015081349-A2 COMBINATION OF NOVEL NITRIFICATION INHIBITORS AND HERBICIDES AS WELL AS COMBINATION OF (THIO)PHOSPHORIC ACID TRIAMIDES AND HERBICIDES BASF SE (DE) 2015-06-04 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 (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-20170036969-A1 NITRIFICATION INHIBITORS NOS1, NOS2, NOS3 POLB 2351/4885SMN1; SMN2 4877/4885CYP3A4 371/4885
US-20220117231-A1 Combination of Novel Nitrification Inhibitors and Herbicides as Well as Combination of (Thio)Phosphoric Acid Triamides and Herbicides NMT2, NAPRT, NAMPT POLB 2411/4885SMN1; SMN2 3653/4885CYP3A4 1062/4885
US-20170181435-A1 Combination of Novel Nitrification Inhibitors and Biopesticides as Well as Combination of (Thio)Phosphoric Acid Triamides and Biopesticides PRXL2A, NIT2, NAT1 POLB 2189/4885SMN1; SMN2 3465/4885CYP3A4 2003/4885
US-20170223964-A1 Combination of Novel Nitrification Inhibitors and Herbicides as Well as Combination of (Thio)Phosphoric Acid Triamides and Herbicides NAT1, PRXL2A, DDAH1 POLB 2225/4885SMN1; SMN2 3919/4885CYP3A4 1242/4885

“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.