SCHEMBL19796012

SCHEMBL19796012

CC(=O)/C(=C\N(CCCC(C)C)c1ccccc1)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.35
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 3/20 0.35
NPC1 O15118 2/20 0.35
HTT P42858 2/20 0.35
RAB9A P51151 2/20 0.35
MAPK1 P28482 1/20 0.35
ATM Q13315 1/20 0.35
KMT2A Q03164 2/20 0.34
GAA P10253 2/20 0.34
ADRA2C P18825 1/20 0.34
MEN1 O00255 1/20 0.34
AKR1C1 Q04828 2/20 0.33
HPGD P15428 2/20 0.33
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
TRPM8 Q7Z2W7 1/20 0.33
RECQL P46063 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
SCHEMBL19803824 0.85 MLYCD (0.39) ALDH1A1LMNASMN1; SMN2TP53MAPT
SCHEMBL19795884 0.80 MLYCD (0.34)
SCHEMBL19795961 0.79 ALDH1A1 (0.43) ALDH1A1LMNAMAPTNPC1HTT
SCHEMBL19795938 0.78 CA12 (0.34) ALDH1A1LMNASMN1; SMN2MAPTHTT
SCHEMBL19795965 0.78 ALDH1A1 (0.40) ALDH1A1LMNAHTTMAPK1CES2
SCHEMBL19795888 0.77 MLYCD (0.40) ALDH1A1LMNASMN1; SMN2TP53MAPT
SCHEMBL19796002 0.76 KMT2A (0.43) ALDH1A1SMN1; SMN2MAPTNPC1HTT
SCHEMBL19796003 0.75 TSHR (0.43) ALDH1A1LMNASMN1; SMN2MAPTHTT
SCHEMBL19796015 0.75 TACR1 (0.31)
SCHEMBL19795907 0.74 CA12 (0.35) ALDH1A1LMNASMN1; SMN2MAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180022693-A1 COMPOUNDS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2018-01-25 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-20180022693-A1 COMPOUNDS ERCC4, NQO1, ERCC5 ALDH1A1 981/4885LMNA 2017/4885SMN1; SMN2 3611/4885

“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.