SCHEMBL662462

SCHEMBL662462

CC(C)(C)OC(=O)c1cc(CCO)ccc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 5/20 0.47
CYP4A11 Q02928 5/20 0.47
PPARA Q07869 1/20 0.40
TRPV1 Q8NER1 1/20 0.36
PAK1 Q13153 1/20 0.36
RXRA P19793 1/20 0.36
NR1H2 P55055 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
STAT3 P40763 1/20 0.36
RHEB Q15382 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.35
PRKAB2 O43741 1/20 0.35
PRKAG1 P54619 1/20 0.35
PRKAA2 P54646 1/20 0.35
PRKAA1 Q13131 1/20 0.35
PRKAG3 Q9UGI9 1/20 0.35
PRKAG2 Q9UGJ0 1/20 0.35

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
SCHEMBL663584 0.86 CYP4F2 (0.45) CYP4F2CYP4A11TRPV1RXRANR1H2
SCHEMBL22032139 0.80 CYP4A11 (0.43) CYP4F2CYP4A11PPARARXRANR1H2
SCHEMBL664561 0.80 CYP4F2 (0.45) CYP4F2CYP4A11PPARACA12CA1
SCHEMBL14969491 0.78 CYP4F2 (0.43) CYP4F2CYP4A11ALDH1A1KDM4EGAA
SCHEMBL7858859 0.78 ALDH1A1 (0.53) ALDH1A1MAPT
SCHEMBL22084670 0.77 NPC1 (0.54) CYP4F2CYP4A11ALDH1A1KDM4EGAA
SCHEMBL664212 0.76 ALDH1A1 (0.55) MRGPRX4PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL1016954 0.76 NPC1 (0.41) CYP4F2CYP4A11PPARACA12CA1
SCHEMBL27688090 0.75 NPC1 (0.41) CYP4F2CYP4A11RXRANR1H2CA12
SCHEMBL24269548 0.75 NR1H4 (0.43) CYP4F2CYP4A11NR1H2CA12CA1

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-20120046293-A1 RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2012-02-23 US disclosed
US-8063105-B2 Renin inhibitors MERCK CANADA INC. (CA) 2011-11-22 US disclosed
US-20090281103-A1 Renin Inhibitors MERCK CANADA INC. (CA) 2009-11-12 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 (2 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-20120046293-A1 RENIN INHIBITORS REN, ACE, AGTR1 CYP4F2 562/4885CYP4A11 231/4885PPARA 1405/4885
US-20090281103-A1 Renin Inhibitors REN, ACE, AGT CYP4F2 257/4885CYP4A11 53/4885PPARA 2696/4885

“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.