SCHEMBL17610495

SCHEMBL17610495

CN(C)[C@H](Cc1c[nH]cn1)C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
PPARG P37231 1/20 0.33
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL198655 1.00 ALDH1A1 (0.33) ALDH1A1MAPTPPARGMEN1KMT2A
SCHEMBL198654 1.00 ALDH1A1 (0.33) ALDH1A1MAPTPPARGMEN1KMT2A
Water SCHEMBL28484737 0.98 ALDH1A1 (0.33) ALDH1A1MAPTPPARG
Hydrochloric Acid SCHEMBL28132975 0.98 ALDH1A1 (0.35) ALDH1A1MAPTPPARGMEN1KMT2A
Hydrochloric Acid SCHEMBL17293302 0.97 ALDH1A1 (0.35) ALDH1A1MAPTPPARGMEN1KMT2A
Hydrochloric Acid SCHEMBL19065058 0.97 ALDH1A1 (0.35) ALDH1A1MAPTPPARGMEN1KMT2A
Sulfurous Acid SCHEMBL28518724 0.94 PPARG (0.31) ALDH1A1MAPTPPARG
SCHEMBL28518721 0.90 PPARG (0.31) PPARG
Imidazole SCHEMBL29264303 0.89 ALDH1A1 (0.33) ALDH1A1
SCHEMBL9780515 0.88

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-20170283382-A1 METHOD FOR PRODUCING PURE L-HERCYNINE TETRAHEDRON (FR) 2017-10-05 US disclosed
US-20170283382-A1 METHOD FOR PRODUCING PURE L-HERCYNINE TETRAHEDRON (FR) 2017-10-05 US disclosed
EP-3194372-A1 METHOD FOR PRODUCING PURE L-HERCYNINE Tetrahedron (FR) 2017-07-26 EP disclosed
WO-2016042273-A1 METHOD FOR PRODUCING PURE L-HERCYNINE TETRAHEDRON (FR) 2016-03-24 WO 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 (1 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-20170283382-A1 METHOD FOR PRODUCING PURE L-HERCYNINE MLX, MLEC, PTMS ALDH1A1 3847/4885MAPT 1333/4885PPARG 4885/4885

“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.