SCHEMBL3434689

SCHEMBL3434689

CC1(C)CC(C(=O)CBr)CCO1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.49
ALOX15 P16050 1/20 0.46
ALDH1A1 P00352 4/20 0.44
NLRP3 Q96P20 1/20 0.40
GLA P06280 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
LMNA P02545 1/20 0.35
GAA P10253 2/20 0.33
TP53 P04637 1/20 0.33
PKM P14618 1/20 0.33
RAB9A P51151 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.31
KCNH2 Q12809 3/20 0.31
SCN5A Q14524 1/20 0.31
CACNA1I Q9P0X4 1/20 0.31

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
SCHEMBL15125182 0.84 POLB (0.50) POLBALOX15ALDH1A1GLASMN1; SMN2
SCHEMBL14276813 0.79 POLB (0.56) POLBALOX15ALDH1A1GLASMN1; SMN2
SCHEMBL16469141 0.77 NLRP3 (0.48) NLRP3
SCHEMBL322744 0.77 POLB (0.54) POLBALOX15ALDH1A1GLASMN1; SMN2
SCHEMBL353235 0.76 POLB (0.54) POLBALOX15ALDH1A1GLASMN1; SMN2
SCHEMBL19119509 0.76 POLB (0.53) POLBALOX15ALDH1A1GLASMN1; SMN2
SCHEMBL4730994 0.76 POLB (0.53) POLBALOX15ALDH1A1GLASMN1; SMN2
SCHEMBL15114094 0.73 POLB (0.50) POLBALOX15ALDH1A1GLASMN1; SMN2
SCHEMBL31085334 0.73 POLB (0.54) POLBALOX15ALDH1A1GLASMN1; SMN2
SCHEMBL3269294 0.72 POLB (0.47) POLBALOX15ALDH1A1GLASMN1; SMN2

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-20120101100-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF-211 ASTRAZENECA AB (SE) 2012-04-26 US disclosed
US-20120101100-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF-211 ASTRAZENECA AB (SE) 2012-04-26 US disclosed
WO-2011024004-A1 HETEROCYCLIC UREA DERIVATIVES USEFUL FOR TREATMENT OF BACTERIAL INFECTION ASTRAZENECA AB (SE) 2011-03-03 WO disclosed
WO-2009106885-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF-211 ASTRAZENECA AB (SE) 2009-09-03 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-20120101100-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF-211 UROD, UMPS, SLC14A1 POLB 655/4885ALOX15 2208/4885ALDH1A1 1208/4885

“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.