SCHEMBL831207

SCHEMBL831207

C=CCC(N)(c1ccccc1)C(O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.46
ALDH1A1 P00352 2/20 0.45
TSHR P16473 1/20 0.45
AOC3 Q16853 4/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 2/20 0.36
RIPK1 Q13546 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.34
KCNN4 O15554 1/20 0.33
KCNA5 P22460 1/20 0.33
ATM Q13315 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33

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
SCHEMBL838609 1.00 HTT (0.46) HTTALDH1A1TSHRAOC3CYP2C19
SCHEMBL10451738 0.75 CYP2C19 (0.46) AOC3CYP2C19
SCHEMBL10957465 0.74 RIPK1 (0.46) HTTALDH1A1TSHRAOC3CYP2C19
SCHEMBL10526973 0.72 HTT (0.45) HTTALDH1A1TSHRCYP2C19KMT2A
SCHEMBL27491363 0.72 ALDH1A1 (0.43) HTTALDH1A1TSHRAOC3CYP2C19
SCHEMBL30434815 0.72 HTT (0.55) HTTALDH1A1TSHRKMT2ASMN1; SMN2
SCHEMBL11829886 0.71 HTT (0.55) HTTALDH1A1TSHRCYP2C19KMT2A
SCHEMBL9029040 0.70 AOC3 (0.47) ALDH1A1AOC3KCNN4
SCHEMBL6743744 0.70 AOC3 (0.47) ALDH1A1AOC3KCNN4
SCHEMBL2688608 0.70 HTT (0.53) HTTALDH1A1TSHRKMT2ASMN1; SMN2

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-8143451-B2 Reacting a ketone with an allyl boron compound anc ammonia or ammonium salt; synthons KANATA CHEMICAL TECHNOLOGIES INC. (CA) 2012-03-27 US disclosed
US-20080139847-A1 METHODS OF PREPARING TERTIARY CARBINAMINE COMPOUNDS KANATA CHEMICAL TECHNOLOGIES INC. (CA) 2008-06-12 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 (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-20080139847-A1 METHODS OF PREPARING TERTIARY CARBINAMINE COMPOUNDS INMT, CROCC, GNMT HTT 1319/4885ALDH1A1 1599/4885TSHR 2363/4885

“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.