SCHEMBL4026103

SCHEMBL4026103

CC(CC=CO)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
SLC6A4 P31645 10/20 0.37
SLC6A2 P23975 9/20 0.37
SLC6A3 Q01959 9/20 0.37
CYP3A4 P08684 5/20 0.37
CYP2D6 P10635 5/20 0.37
KCNH2 Q12809 4/20 0.37
PNMT P11086 1/20 0.36

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
SCHEMBL6702600 0.79 ALDH1A1 (0.45) ALDH1A1LMNAHTTSMN1; SMN2SLC6A4
SCHEMBL14191121 0.79 ALDH1A1 (0.45) ALDH1A1LMNAHTTSMN1; SMN2SLC6A4
SCHEMBL8751368 0.77 ALDH1A1 (0.41) ALDH1A1LMNAHTTSMN1; SMN2SLC6A4
SCHEMBL29314865 0.77 TDP1 (0.44) ALDH1A1LMNACYP3A4CYP2D6
SCHEMBL19493622 0.76 ALDH1A1 (0.49) ALDH1A1LMNAHTTSMN1; SMN2SLC6A4
SCHEMBL19493632 0.76 ALDH1A1 (0.49) ALDH1A1LMNAHTTSMN1; SMN2SLC6A4
SCHEMBL16770733 0.74 ALDH1A1 (0.48) ALDH1A1LMNAHTTSMN1; SMN2SLC6A4
SCHEMBL11455306 0.74 ALDH1A1 (0.50) ALDH1A1LMNAHTTSMN1; SMN2SLC6A4
SCHEMBL27363114 0.74 ALDH1A1 (0.48) ALDH1A1LMNAHTTSMN1; SMN2SLC6A4
SCHEMBL9963710 0.74 ALDH1A1 (0.48) ALDH1A1LMNAHTTSMN1; SMN2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1345899-B1 N-substituted amides as NK1 receptor antagonists ASTRAZENECA AB (SE) 2009-01-14 EP disclosed
US-7064136-B2 Compounds ASTRAZENECA AB (SE) 2006-06-20 US disclosed
US-20040058916-A1 Compounds ASTRAZENECA AB (SE) 2004-03-25 US disclosed
EP-1345899-A1 COMPOUNDS AstraZeneca AB (SE) 2003-09-24 EP disclosed
WO-2002051807-A1 COMPOUNDS ASTRAZENECA AB (SE) 2002-07-04 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-20040058916-A1 Compounds CYP11B2, CYP11B1, PCSK9 ALDH1A1 816/4885LMNA 1082/4885HTT 466/4885

“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.