SCHEMBL4241344

SCHEMBL4241344

CC1(C)Cc2c(Cl)ccc(C=O)c2O1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
TDP1 Q9NUW8 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.32
PKM P14618 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
PTGES O14684 1/20 0.31
KCNJ1 P48048 1/20 0.30

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
SCHEMBL4230579 0.82 ALDH1A1 (0.47) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL3609698 0.81 PIK3CD (0.35) ALDH1A1SMN1; SMN2
SCHEMBL3598687 0.78 FFAR4 (0.40) ALDH1A1TDP1
SCHEMBL8948519 0.76 ALDH1A1 (0.37) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL14444109 0.76 ALDH1A1 (0.46) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL11218997 0.75 ALDH1A1 (0.36) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL23541869 0.74 ALDH1A1 (0.37) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL17535618 0.74 EZH2 (0.32) ALDH1A1SMN1; SMN2KCNJ1
SCHEMBL8939989 0.73 PTGES (0.39) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL5722906 0.72 FFAR4 (0.42) ALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090156575-A1 NOVEL DIAZASPIROALKANES AND THEIR USE FOR TREATMENT OF CCR8 MEDIATED DISEASES ASTRAZENECA AB (SE) 2009-06-18 US disclosed
US-20090156575-A1 NOVEL DIAZASPIROALKANES AND THEIR USE FOR TREATMENT OF CCR8 MEDIATED DISEASES ASTRAZENECA AB (SE) 2009-06-18 US disclosed
US-20090156575-A1 NOVEL DIAZASPIROALKANES AND THEIR USE FOR TREATMENT OF CCR8 MEDIATED DISEASES ASTRAZENECA AB (SE) 2009-06-18 US disclosed
EP-1926730-A1 NOVEL DIAZASPIROALKANES AND THEIR USE FOR TREATMENT OF CCR8 MEDIATED DISEASES AstraZeneca AB (SE) 2008-06-04 EP disclosed
WO-2007030061-A1 NOVEL DIAZASPIROALKANES AND THEIR USE FOR TREATMENT OF CCR8 MEDIATED DISEASES ASTRAZENECA AB (SE) 2007-03-15 WO disclosed
WO-2007030061-A1 NOVEL DIAZASPIROALKANES AND THEIR USE FOR TREATMENT OF CCR8 MEDIATED DISEASES ASTRAZENECA AB (SE) 2007-03-15 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-20090156575-A1 NOVEL DIAZASPIROALKANES AND THEIR USE FOR TREATMENT OF CCR8 MEDIATED DISEASES CCR8, CCR1, CCR10 ALDH1A1 1599/4885CYP1A2 3059/4885CYP3A4 3516/4885

“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.