SCHEMBL22340656

SCHEMBL22340656

COc1ccc(/N=C/c2ccc(C)cc2C)cc1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 2/20 0.53
▸ ALDH1A1 P00352 3/20 0.49
▸ MAPT P10636 2/20 0.49
▸ GAA P10253 1/20 0.49
▸ S100B P04271 1/20 0.47
▸ MAOB P27338 4/20 0.47
▸ KMT2A Q03164 2/20 0.46
▸ CA1 P00915 3/20 0.45
▸ CA2 P00918 3/20 0.45
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ AMY1A P0DUB6 1/20 0.43

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
SCHEMBL12767306 0.81 MAOB (0.64) ACHEALDH1A1MAPTGAAS100B
SCHEMBL17471435 0.81 MAPT (0.51) ACHEALDH1A1MAPTGAAMAOB
SCHEMBL9441709 0.80 MAOB (0.48) ALDH1A1MAPTGAAMAOBKMT2A
SCHEMBL9441715 0.80 MAOB (0.48) ALDH1A1MAPTGAAMAOBKMT2A
SCHEMBL994961 0.78 MAOB (0.66) ALDH1A1MAPTGAAS100BMAOB
SCHEMBL994960 0.78 MAOB (0.66) ALDH1A1MAPTGAAS100BMAOB
SCHEMBL11380636 0.76 S100B (0.72) ACHEALDH1A1MAPTGAAS100B
SCHEMBL16488576 0.76 S100B (0.72) ACHEALDH1A1MAPTGAAS100B
SCHEMBL13038178 0.76 S100B (0.72) ACHEALDH1A1MAPTGAAS100B
SCHEMBL269057 0.76 S100B (0.72) ACHEALDH1A1MAPTGAAS100B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3707132-B1 NEW METHOD FOR THE SYNTHESIS OF UNSYMMETRICAL TERTIARY AMINES UNIV PARIS SACLAY (FR) 2024-07-17 — — EP disclosed
US-11034646-B2 Method for the synthesis of unsymmetrical tertiary amines Universite Paris-Saclay (FR) 2021-06-15 — — US disclosed
US-20200255369-A1 NEW METHOD FOR THE SYNTHESIS OF UNSYMMETRICAL TERTIARY AMINES Universite Paris-Saclay (FR) 2020-08-13 — — 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-20200255369-A1 NEW METHOD FOR THE SYNTHESIS OF UNSYMMETRICAL TERTIARY AMINES ADH1C, ADH1A, ADH5 ACHE 1378/4885ALDH1A1 179/4885MAPT 2186/4885
US-11034646-B2 Method for the synthesis of unsymmetrical tertiary amines ADH1C, PNMT, ADH1A ACHE 1421/4885ALDH1A1 182/4885MAPT 1922/4885

“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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