SCHEMBL9735895

SCHEMBL9735895

CC(C(=O)O)N(C)C(=O)Oc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 2/20 0.56
TDP1 Q9NUW8 2/20 0.50
ATM Q13315 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
ALDH1A1 P00352 4/20 0.47
KMT2A Q03164 4/20 0.47
PKM P14618 1/20 0.47
RAB9A P51151 4/20 0.47
ACHE P22303 5/20 0.46
BCHE P06276 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.44
NPC1 O15118 2/20 0.44
MEN1 O00255 3/20 0.43
NPSR1 Q6W5P4 2/20 0.43
AADAT Q8N5Z0 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41
GFER P55789 1/20 0.41
LTA4H P09960 1/20 0.40

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
SCHEMBL9735897 1.00 NPY5R (0.56) NPY5RTDP1ATML3MBTL1ALDH1A1
SCHEMBL3475218 0.85 NPY5R (0.59) NPY5RTDP1ATML3MBTL1ALDH1A1
SCHEMBL21802403 0.83 NPY5R (0.54) NPY5RTDP1ATML3MBTL1ALDH1A1
SCHEMBL21802402 0.83 NPY5R (0.54) NPY5RTDP1ATML3MBTL1ALDH1A1
SCHEMBL5370760 0.79 NPY5R (0.57) NPY5RTDP1ATML3MBTL1ALDH1A1
SCHEMBL21802391 0.79 NPY5R (0.50) NPY5RTDP1ATML3MBTL1ALDH1A1
SCHEMBL28308247 0.78 NPY5R (0.52) NPY5RTDP1ATML3MBTL1ALDH1A1
SCHEMBL4620649 0.77 ALDH1A1 (0.46) NPY5RALDH1A1KMT2APKMRAB9A
SCHEMBL4621768 0.77 ALDH1A1 (0.46) NPY5RALDH1A1KMT2APKMRAB9A
SCHEMBL9623297 0.77 NPY5R (0.51) NPY5RTDP1ATML3MBTL1ALDH1A1

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-10968168-B2 Isocyanate production method ASAHI KASEI KABUSHIKI KAISHA (JP) 2021-04-06 US disclosed
EP-3626705-B1 ISOCYANATE PRODUCTION METHOD ASAHI CHEMICAL IND (JP) 2021-03-24 EP disclosed
US-20200115327-A1 ISOCYANATE PRODUCTION METHOD ASAHI KASEI KABUSHIKI KAISHA (JP) 2020-04-16 US disclosed
EP-3626705-A1 ISOCYANATE PRODUCTION METHOD Asahi Kasei Kabushiki Kaisha (JP) 2020-03-25 EP disclosed
US-5130307-A Antibody inhibitors; treating organ graft rejection, fungal infections; antiinflammatory agents AMERICAN HOME PRODUCTS CORPORATION (US) 1992-07-14 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-20200115327-A1 ISOCYANATE PRODUCTION METHOD IDH3A, ALKBH3, CPS1 NPY5R 4188/4885TDP1 776/4885ATM 1401/4885
US-10968168-B2 Isocyanate production method IDH3A, ALKBH3, CPS1 NPY5R 4188/4885TDP1 776/4885ATM 1401/4885

“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.