SCHEMBL21042437

SCHEMBL21042437

C[C@H](CCCCCCC(N)=O)OC(=O)[C@@H]1CC=CN1C(=O)c1ccccc1O

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.36
▸ HSP90AA1 P07900 3/20 0.32
▸ HSP90AB1 P08238 3/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ PTGS1 P23219 1/20 0.31
▸ PTGS2 P35354 1/20 0.31

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
SCHEMBL21042058 0.91 ALDH1A1 (0.35) ALDH1A1
SCHEMBL21041369 0.91 ALDH1A1 (0.35) ALDH1A1
SCHEMBL21042228 0.89 ALDH1A1 (0.34) ALDH1A1
SCHEMBL21042479 0.88 ALDH1A1 (0.36) ALDH1A1
SCHEMBL19505772 0.88 NAAA (0.34) ALDH1A1KDM4EMAPTHTT
SCHEMBL21042059 0.80 HTT (0.34) ALDH1A1HTT
SCHEMBL19505781 0.79 NAAA (0.33) ALDH1A1KDM4EMAPTHTT
SCHEMBL21042244 0.79 — —
SCHEMBL19505778 0.79 NAAA (0.33) ALDH1A1KDM4EMAPTHTT
SCHEMBL21042938 0.78 ALDH1A1 (0.35) ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10647671-B2 Promysalin analogues and methods of use thereof Temple University—Of the Commonwealth System of Higher Education (US) 2020-05-12 — — US disclosed
US-20190161444-A1 Novel Promysalin Analogues and Methods of Use Thereof Temple University--of the Commonwealth System of Higher Education 2019-05-30 — — 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-10647671-B2 Promysalin analogues and methods of use thereof CCL11, MAN2A1, PREP ALDH1A1 2458/4885HSP90AA1 2263/4885HSP90AB1 2466/4885
US-20190161444-A1 Novel Promysalin Analogues and Methods of Use Thereof MASP2, MAN2A1, CCL11 ALDH1A1 2906/4885HSP90AA1 1647/4885HSP90AB1 1781/4885

“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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