SCHEMBL4235293

SCHEMBL4235293

C=C(C)Cc1ccc(C(=O)OC)cc1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.57
CA2 P00918 5/20 0.57
CA12 O43570 4/20 0.57
CA7 P43166 4/20 0.57
CA9 Q16790 4/20 0.57
CA14 Q9ULX7 4/20 0.57
XDH P47989 2/20 0.57
HKDC1 Q2TB90 2/20 0.48
CCR6 P51684 1/20 0.48
HPGD P15428 4/20 0.47
ALDH1A1 P00352 4/20 0.47
LMNA P02545 3/20 0.47
KDM4E B2RXH2 3/20 0.47
HSD17B10 Q99714 3/20 0.47
MAPT P10636 3/20 0.47
TP53 P04637 2/20 0.47
ALOX15 P16050 2/20 0.47
ALOX12 P18054 2/20 0.47
MEN1 O00255 1/20 0.47
HTT P42858 1/20 0.47

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
SCHEMBL3632067 0.88 CA1 (0.57) CA1CA2CA12CA7CA9
SCHEMBL15947258 0.84 CA12 (0.45) CA1CA2CA12CA7CA9
SCHEMBL1092347 0.83 PKM (0.51) ALDH1A1KDM4EHSD17B10MAPTMEN1
SCHEMBL4404364 0.83 CA12 (0.59) CA1CA2CA12CA7CA9
SCHEMBL3373567 0.82 CA12 (0.67) CA1CA2CA12CA7CA9
SCHEMBL7893012 0.80 CA12 (0.65) CA1CA2CA12CA7CA9
SCHEMBL10907964 0.79 ALDH1A1 (0.55) CA1CA2CA12CA7CA9
SCHEMBL6478663 0.78 XDH (0.57) CA1CA2CA12CA7CA9
SCHEMBL20766302 0.77 GAA (0.55) HKDC1CCR6HPGDALDH1A1LMNA
SCHEMBL15657532 0.76 CA1 (0.59) CA1CA2CA12CA7CA9

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 9 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
CN-1119182-A Insecticidal N,N'-disubstituted-N,N'-diacylhydrazines ROHM & HAAS (US) 1996-03-27 CN disclosed
EP-0693486-A1 Insecticidal N-substituted-N'-(optionally substituted)-N,N'-diacylhydrazines ROHM AND HAAS COMPANY (US) 1996-01-24 EP disclosed
US-5482962-A Insecticidal N,N'-disubstituted-N-N'-diacylhydrazines ROHM AND HAAS COMPANY (US) 1996-01-09 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-20090156575-A1 NOVEL DIAZASPIROALKANES AND THEIR USE FOR TREATMENT OF CCR8 MEDIATED DISEASES CCR8, CCR1, CCR10 CA1 4643/4885CA2 3690/4885CA12 3952/4885

“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.