SCHEMBL5110194

SCHEMBL5110194

CCCOc1cc(CCCO)n(Cc2ccccc2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
PPARG P37231 5/20 0.41
PTGER1 P34995 1/20 0.40
TP53 P04637 2/20 0.38
MDM2 Q00987 2/20 0.38
POLB P06746 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TDP1 Q9NUW8 1/20 0.36
SLC6A4 P31645 2/20 0.36
KDM4E B2RXH2 1/20 0.36
GUCY1B2 O75343 1/20 0.36
CYP1A2 P05177 1/20 0.36
CHRM2 P08172 1/20 0.36
HTR1A P08908 1/20 0.36
ADRA2A P08913 1/20 0.36
CYP2D6 P10635 1/20 0.36
CHRM1 P11229 1/20 0.36
DRD1 P21728 1/20 0.36
SLC6A2 P23975 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
SCHEMBL5121178 0.89 PPARG (0.46) CYP11B1CYP11B2PPARGPOLBALDH1A1
SCHEMBL5109059 0.87 POLB (0.41) PPARGTP53MDM2POLBSMN1; SMN2
SCHEMBL5113068 0.85 PPARG (0.39) CYP11B1CYP11B2PPARGHTR2C
SCHEMBL5111033 0.83 PPARG (0.43) PPARGPTGER1SMN1; SMN2KDM4EPDE5A
SCHEMBL5120100 0.81 PPARG (0.50) CYP11B1CYP11B2PPARGPOLBSMN1; SMN2
SCHEMBL5114575 0.81 CYSLTR1 (0.45) PPARGTP53SMN1; SMN2CYP1A2ALDH1A1
SCHEMBL5112056 0.81 PPARG (0.61) PPARG
SCHEMBL5105836 0.81 ALDH1A1 (0.47) CYP11B1CYP11B2PPARGTP53MDM2
SCHEMBL5119912 0.78 PPARG (0.42) CYP11B1CYP11B2PPARGPTGER1SMN1; SMN2
SCHEMBL4914792 0.77 POLB (0.42) TP53MDM2POLBSMN1; SMN2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080051418-A1 Arylalkanoic Acid Derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-02-28 US disclosed
EP-1829863-A1 ARYLALKANOIC ACID DERIVATIVE Takeda Pharmaceutical Company Limited (JP) 2007-09-05 EP 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-20080051418-A1 Arylalkanoic Acid Derivative INSR, NPY1R, GPR119 CYP11B1 620/4885CYP11B2 804/4885PPARG 52/4885

“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.