SCHEMBL14946437

SCHEMBL14946437

CC(OC(C)(C)C)C(=O)N1CCc2ccccc2C1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.63
▸ ACE P12821 2/20 0.59
▸ TDP1 Q9NUW8 1/20 0.57
▸ NOTUM Q6P988 1/20 0.55
▸ KMT2A Q03164 4/20 0.53
▸ MEN1 O00255 3/20 0.53
▸ TAAR1 Q96RJ0 3/20 0.53
▸ HRH3 Q9Y5N1 1/20 0.52
▸ ABHD6 Q9BV23 1/20 0.51
▸ MAPT P10636 3/20 0.50
▸ DPP8 Q6V1X1 2/20 0.49
▸ HDAC8 Q9BY41 1/20 0.49
▸ RIPK1 Q13546 2/20 0.49
▸ ALDH1A1 P00352 3/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ TP53 P04637 1/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ DPP7 Q9UHL4 1/20 0.48

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
SCHEMBL28650972 0.81 TDP1 (0.57) HPGDACETDP1NOTUMKMT2A
SCHEMBL28655184 0.81 TDP1 (0.63) HPGDACETDP1NOTUMKMT2A
SCHEMBL12783352 0.81 ACE (0.70) HPGDACETDP1NOTUMKMT2A
SCHEMBL28650975 0.80 CTSK (0.56) HPGDACETDP1NOTUMKMT2A
SCHEMBL18215088 0.80 CTSK (0.56) HPGDACETDP1NOTUMKMT2A
SCHEMBL29758964 0.80 CTSK (0.56) HPGDACETDP1NOTUMKMT2A
SCHEMBL17278349 0.79 ACE (0.68) HPGDACETDP1NOTUMKMT2A
SCHEMBL17037427 0.78 ACE (0.67) HPGDACETDP1NOTUMKMT2A
SCHEMBL10422997 0.78 ACE (0.67) HPGDACETDP1NOTUMKMT2A
SCHEMBL9512049 0.78 ACE (0.67) HPGDACETDP1NOTUMKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10334851-B2 Herbicidal isoxazolo[5,4-B]pyridines BASF SE (DE) 2019-07-02 — — US disclosed
US-20170367340-A1 Herbicidal Isoxazolo[5,4-B]pyridines BASF SE (DE) 2017-12-28 — — US disclosed
US-9609870-B2 Herbicidal isoxazolo[5,4-b]pyridines BASF SE (DE) 2017-04-04 — — US disclosed
US-9609870-B2 Herbicidal isoxazolo[5,4-b]pyridines BASF SE (DE) 2017-04-04 — — US disclosed
US-20160037777-A1 Herbicidal Isoxazolo[5,4-B]pyridines BASF SE (DE) 2016-02-11 — — US disclosed
US-20160037777-A1 Herbicidal Isoxazolo[5,4-B]pyridines BASF SE (DE) 2016-02-11 — — US disclosed
US-9131695-B2 Herbicidal isoxazolo[5,4-B]pyridines BASF SE (DE) 2015-09-15 — — US disclosed
US-9131695-B2 Herbicidal isoxazolo[5,4-B]pyridines BASF SE (DE) 2015-09-15 — — US disclosed
US-20130123105-A1 Herbicidal Isoxazolo[5,4-B]pyridines BASF SE (DE) 2013-05-16 — — US disclosed
US-20130123105-A1 Herbicidal Isoxazolo[5,4-B]pyridines BASF SE (DE) 2013-05-16 — — 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-10334851-B2 Herbicidal isoxazolo[5,4-B]pyridines CYP4X1, PNPO, PRDX4 HPGD 564/4885ACE 736/4885TDP1 2158/4885
US-20130123105-A1 Herbicidal Isoxazolo[5,4-B]pyridines CYP4X1, PNPO, PRDX4 HPGD 564/4885ACE 736/4885TDP1 2158/4885
US-20160037777-A1 Herbicidal Isoxazolo[5,4-B]pyridines CYP4X1, PNPO, PRDX4 HPGD 564/4885ACE 736/4885TDP1 2158/4885
US-20170367340-A1 Herbicidal Isoxazolo[5,4-B]pyridines CYP4X1, PNPO, PRDX4 HPGD 564/4885ACE 736/4885TDP1 2158/4885

“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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