SCHEMBL18582001

SCHEMBL18582001

CC(=O)OC1CC(OCc2ccccc2)CC1N=[N+]=[N-]

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
METAP2 P50579 2/20 0.37
BCHE P06276 1/20 0.37
NEU3 Q9UQ49 1/20 0.36
FFAR1 O14842 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
SCHEMBL20363383 1.00 ALDH1A1 (0.38) ALDH1A1METAP2BCHENEU3FFAR1
SCHEMBL18582000 1.00 ALDH1A1 (0.38) ALDH1A1METAP2BCHENEU3FFAR1
SCHEMBL8425927 0.84 ALDH1A1 (0.50) ALDH1A1BCHE
SCHEMBL13696045 0.82 NAAA (0.43)
SCHEMBL21032784 0.82 NAAA (0.43)
SCHEMBL14926944 0.82 NAAA (0.43)
SCHEMBL20178534 0.81 NAAA (0.34) FFAR1
SCHEMBL14926943 0.81 NAAA (0.34) FFAR1
SCHEMBL27891732 0.79 NAAA (0.39) BCHEFFAR1
SCHEMBL16552461 0.79 NAAA (0.39) BCHEFFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11046697-B2 Compounds and compositions useful for treating disorders related to NTRK BLUEPRINT MEDICINES CORPORATION 2021-06-29 US disclosed
US-20190169194-A1 COMPOUNDS AND COMPOSITIONS USEFUL FOR TREATING DISORDERS RELATED TO NTRK BLUEPRINT MEDICINES CORPORATION 2019-06-06 US disclosed
US-10017512-B2 Compounds and compositions useful for treating disorders related to NTRK BLUEPRINT MEDICINES CORPORATION (US) 2018-07-10 US disclosed
US-20170066773-A1 COMPOUNDS AND COMPOSITIONS USEFUL FOR TREATING DISORDERS RELATED TO NTRK BLUEPRINT MEDICINES CORPORATION 2017-03-09 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-20170066773-A1 COMPOUNDS AND COMPOSITIONS USEFUL FOR TREATING DISORDERS RELATED TO NTRK NTRK2, NTRK3, NTRK1 ALDH1A1 3794/4885METAP2 4157/4885BCHE 3684/4885
US-10017512-B2 Compounds and compositions useful for treating disorders related to NTRK NTRK3, NTRK2, NTRK1 ALDH1A1 3406/4885METAP2 4104/4885BCHE 4199/4885
US-11046697-B2 Compounds and compositions useful for treating disorders related to NTRK NTRK3, NTRK2, NTRK1 ALDH1A1 3406/4885METAP2 4104/4885BCHE 4199/4885
US-20190169194-A1 COMPOUNDS AND COMPOSITIONS USEFUL FOR TREATING DISORDERS RELATED TO NTRK NTRK3, NTRK2, NTRK1 ALDH1A1 3406/4885METAP2 4104/4885BCHE 4199/4885

“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.