SCHEMBL31285041

SCHEMBL31285041

[2H]C([2H])([2H])Oc1ccc(OC)cc1Br

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 2/20 0.50
▸ CA1 P00915 2/20 0.50
▸ CA2 P00918 2/20 0.50
▸ CA7 P43166 2/20 0.50
▸ CA9 Q16790 2/20 0.50
▸ CA14 Q9ULX7 2/20 0.50
▸ ALDH1A1 P00352 3/20 0.44
▸ MAPT P10636 5/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ THRB P10828 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ CTSL P07711 1/20 0.41
▸ HTR2A P28223 2/20 0.41
▸ HTR2C P28335 2/20 0.41
▸ TUBB1 Q9H4B7 2/20 0.40
▸ CYP1A2 P05177 4/20 0.39
▸ CYP1A1 P04798 2/20 0.39
▸ CYP1B1 Q16678 2/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ NFE2L2 Q16236 1/20 0.39

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
SCHEMBL31285028 0.92 CA12 (0.50) CA12CA1CA2CA7CA9
SCHEMBL258418 0.87 CA12 (0.65) CA12CA1CA2CA7CA9
SCHEMBL29634588 0.87 CA12 (0.65) CA12CA1CA2CA7CA9
SCHEMBL5634995 0.85 CA12 (0.62) CA12CA1CA2CA7CA9
SCHEMBL38657587 0.80 ALDH1A1 (0.56) CA12CA1CA2CA7CA9
SCHEMBL9383598 0.79 CA12 (0.61) CA12CA1CA2CA7CA9
Isopropylamine SCHEMBL28069314 0.78 HTR2A (0.56) CA12CA1CA2CA7CA9
SCHEMBL30467622 0.78 SMN1; SMN2 (0.40) ALDH1A1MAPTMEN1KMT2ACYP1A2
SCHEMBL29739888 0.78 PKM (0.46) ALDH1A1MAPTMEN1KMT2AHTR2A
SCHEMBL16052098 0.78 PKM (0.46) ALDH1A1MAPTMEN1KMT2AHTR2A

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-12465578-B2 Substituted alpha-ethyl phenylalkylamines ALEXANDER SHULGIN RESEARCH INSTITUTE, INC. (US) 2025-11-11 — — US disclosed
US-20240408038-A1 SUBSTITUTED PHENYLALKYLAMINES ALEXANDER SHULGIN RESEARCH INSTITUTE, INC. 2024-12-12 — — 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-12465578-B2 Substituted alpha-ethyl phenylalkylamines PNMT, SLC18A2, SLC1A2 CA12 4862/4885CA1 4571/4885CA2 4027/4885
US-20240408038-A1 SUBSTITUTED PHENYLALKYLAMINES PNMT, HTR2A, SLC18A2 CA12 4845/4885CA1 4605/4885CA2 3871/4885

“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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