SCHEMBL4238767

SCHEMBL4238767

C=C(C)COc1cc(Cl)ccc1C(=O)OC

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.51
TDP1 Q9NUW8 3/20 0.47
TSHR P16473 1/20 0.43
AKR1B1 P15121 3/20 0.43
HTR2B P41595 2/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
AKR1B10 O60218 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
NR4A2 P43354 2/20 0.43
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL12035517 0.89 RAB9A (0.49) ABL1TDP1TSHRHTR2BHTR2A
SCHEMBL24355901 0.88 ABL1 (0.54) ABL1TDP1TSHRAKR1B1AKR1B10
SCHEMBL1107061 0.85 ABL1 (0.54) ABL1TDP1TSHRAKR1B1AKR1B10
SCHEMBL20355260 0.85 TDP1 (0.60) ABL1TDP1TSHRAKR1B1AKR1B10
SCHEMBL17670781 0.83 TDP1 (0.47) TDP1TSHRNR4A2SLC6A3MEN1
SCHEMBL22032167 0.83 TDP1 (0.47) TDP1TSHRAKR1B1CYP2C9CYP2C19
SCHEMBL12100459 0.81 TDP1 (0.52) ABL1TDP1CYP1A2CYP2C9MEN1
SCHEMBL8687307 0.81 TDP1 (0.73) TDP1CYP1A2MEN1KMT2A
SCHEMBL7272605 0.80 GAA (0.59) ABL1TDP1TSHRNR4A2SLC6A4
SCHEMBL19859009 0.79 ABL1 (0.54) ABL1TDP1NR4A2SLC6A4SLC6A3

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 3 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
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

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 ABL1 3650/4885TDP1 2916/4885TSHR 4260/4885

“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.