SCHEMBL4493176

SCHEMBL4493176

[CH2]c1ccc(OC2CCOC2=O)cc1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.38
KDM4E B2RXH2 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL4493171 1.00 POLB (0.38) POLBKDM4ESMN1; SMN2ALDH1A1TSHR
SCHEMBL10174373 0.83 SMN1; SMN2 (0.43) POLBKDM4ESMN1; SMN2ALDH1A1TSHR
SCHEMBL3971854 0.83 SMN1; SMN2 (0.41) POLBKDM4ESMN1; SMN2ALDH1A1TSHR
SCHEMBL13131163 0.83 POLB (0.38) POLBKDM4ESMN1; SMN2ALDH1A1TSHR
SCHEMBL877644 0.83 KDM4E (0.41) POLBKDM4ESMN1; SMN2ALDH1A1TSHR
SCHEMBL4503380 0.83 POLB (0.41) POLBKDM4ESMN1; SMN2ALDH1A1TSHR
SCHEMBL694533 0.83 POLB (0.41) POLBKDM4ESMN1; SMN2ALDH1A1TDP1
SCHEMBL9417243 0.82 DDB1 (0.47) POLBKDM4ESMN1; SMN2ALDH1A1TSHR
SCHEMBL9963794 0.82 ALDH1A1 (0.43) POLBKDM4ESMN1; SMN2ALDH1A1TSHR
SCHEMBL13131091 0.81 POLB (0.38) POLBKDM4ESMN1; SMN2ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7553842-B2 Macrocyclic analogs for the treatment of immunoregulatory disorders and respiratory diseases ARRAY BIOPHARMA INC. (US) 2009-06-30 US disclosed
EP-1838316-A2 MACROCYCLIC ANALOGS FOR THE TREATMENT OF IMMUNOREGULATORY DISORDERS AND RESPIRATORY DISEASES Array Biopharma, Inc. (US) 2007-10-03 EP disclosed
WO-2006078724-A2 MACROCYCLIC ANALOGS FOR THE TREATMENT OF IMMUNOREGULATORY DISORDERS AND RESPIRATORY DISEASES ARRAY BIOPHARMA NC. (US) 2006-07-27 WO disclosed
US-20060160838-A1 Macrocyclic analogs for the treatment of immunoregulatory disorders and respiratory diseases ARRAY BIOPHARMA INC. 2006-07-20 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-20060160838-A1 Macrocyclic analogs for the treatment of immunoregulatory disorders and respiratory diseases TSLP, XDH, IFNG POLB 2107/4885KDM4E 4315/4885SMN1; SMN2 1818/4885

“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.