SCHEMBL21042479

SCHEMBL21042479

C[C@H](CCCCCCC(N)=O)OC(=O)[C@@H]1CC=CN1C(=O)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.36
▸ NPC1 O15118 1/20 0.35
▸ POLB P06746 1/20 0.33
▸ TLR2 O60603 1/20 0.33
▸ TLR1 Q15399 1/20 0.33
▸ NAAA Q02083 1/20 0.33
▸ PIK3CD O00329 1/20 0.33
▸ FKBP1A P62942 1/20 0.32
▸ LMNA P02545 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ SCN1A P35498 1/20 0.31
▸ SCN2A Q99250 1/20 0.31
▸ SCN3A Q9NY46 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ FAAH O00519 3/20 0.31
▸ CAPN1 P07384 1/20 0.31
▸ DPP7 Q9UHL4 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
SCHEMBL21042938 0.90 ALDH1A1 (0.35) ALDH1A1NPC1POLBNAAAPIK3CD
SCHEMBL21042437 0.88 ALDH1A1 (0.36) ALDH1A1
SCHEMBL21041357 0.81 PNLIP (0.30) —
SCHEMBL21042261 0.80 MGLL (0.35) —
SCHEMBL21042058 0.79 ALDH1A1 (0.35) ALDH1A1
SCHEMBL21041369 0.79 ALDH1A1 (0.35) ALDH1A1
SCHEMBL21042228 0.77 ALDH1A1 (0.34) ALDH1A1
SCHEMBL21042059 0.77 HTT (0.34) ALDH1A1POLBLMNAKMT2A
SCHEMBL21042061 0.75 KMT2A (0.38) ALDH1A1NPC1LMNAKMT2A
SCHEMBL21042214 0.74 TSHR (0.37) FKBP1A

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 2458/4885NPC1 1088/4885POLB 3169/4885
US-20190161444-A1 Novel Promysalin Analogues and Methods of Use Thereof MASP2, MAN2A1, CCL11 ALDH1A1 2906/4885NPC1 1111/4885POLB 3307/4885

“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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