SCHEMBL663584

SCHEMBL663584

COCCc1ccc(Cl)c(C(=O)OC(C)(C)C)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.45
CYP4A11 Q02928 1/20 0.45
HPGD P15428 3/20 0.40
LMNA P02545 2/20 0.38
TRPV1 Q8NER1 1/20 0.38
STAT3 P40763 1/20 0.37
TSHR P16473 3/20 0.36
PTGES O14684 1/20 0.36
ALDH1A1 P00352 2/20 0.36
CA2 P00918 2/20 0.36
MAPT P10636 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
RXRA P19793 1/20 0.35
NR1H2 P55055 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL662462 0.86 CYP4F2 (0.47) CYP4F2CYP4A11TRPV1STAT3ALDH1A1
SCHEMBL664960 0.81 MRGPRX4 (0.50) CYP4F2CYP4A11HPGDLMNATSHR
SCHEMBL14969491 0.78 CYP4F2 (0.43) CYP4F2CYP4A11HPGDLMNATSHR
SCHEMBL664561 0.78 CYP4F2 (0.45) CYP4F2CYP4A11HPGDSTAT3ALDH1A1
SCHEMBL7858859 0.76 ALDH1A1 (0.53) HPGDLMNATSHRALDH1A1MAPT
SCHEMBL30647595 0.75 LMNA (0.42) LMNATRPV1CYP1A2RXRANR1H2
SCHEMBL31510607 0.75 LMNA (0.42) LMNATRPV1CYP1A2RXRANR1H2
SCHEMBL22084670 0.74 NPC1 (0.54) CYP4F2CYP4A11ALDH1A1MAPTKMT2A
SCHEMBL1930540 0.74 ALDH1A1 (0.55) HPGDLMNASTAT3TSHRALDH1A1
SCHEMBL15471912 0.73 CYP4F2 (0.46) CYP4F2CYP4A11HPGDLMNATSHR

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 231/4885HPGD 559/4885
US-20090281103-A1 Renin Inhibitors REN, ACE, AGT CYP4F2 257/4885CYP4A11 53/4885HPGD 523/4885

“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.