SCHEMBL6745456

SCHEMBL6745456

CCCCCCCN(CC1(c2ccc(CO)cc2)CC1)C(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
NCOR2 Q9Y618 1/20 0.37
CA14 Q9ULX7 1/20 0.34
L3MBTL1 Q9Y468 3/20 0.34
CNR2 P34972 4/20 0.33
PPARG P37231 1/20 0.33
PPARD Q03181 1/20 0.33
PPARA Q07869 1/20 0.33
SOAT1 P35610 1/20 0.32
THRA P10827 3/20 0.32
THRB P10828 3/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
GPR119 Q8TDV5 1/20 0.32
S1PR2 O95136 1/20 0.32
S1PR1 P21453 1/20 0.32
S1PR3 Q99500 1/20 0.32

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
SCHEMBL6746617 0.86 CA14 (0.34) HDAC3HDAC1HDAC2NCOR2CA14
SCHEMBL6745446 0.82 PPARA (0.36) HDAC3HDAC1HDAC2NCOR2CA14
SCHEMBL6743523 0.81 PPARG (0.44) HDAC3HDAC1HDAC2NCOR2CA14
SCHEMBL6746583 0.79 CA14 (0.32) CA14SLC6A4SLC6A3S1PR1
SCHEMBL6746590 0.79 CA14 (0.32) CA14SLC6A4SLC6A3S1PR1
SCHEMBL140146 0.73 CA14 (0.55) HDAC3HDAC1HDAC2NCOR2CA14
SCHEMBL1962811 0.73 CA14 (0.55) HDAC3HDAC1HDAC2NCOR2CA14
SCHEMBL133198 0.73 CA14 (0.55) HDAC3HDAC1HDAC2NCOR2CA14
SCHEMBL136485 0.73 CA14 (0.55) HDAC3HDAC1HDAC2NCOR2CA14
SCHEMBL6357795 0.73 PPARA (0.46) HDAC3HDAC1HDAC2NCOR2CA14

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-6699904-B2 PEROXISOME PROLIFERATOR ACTIVATOR RECEPTOR (PPAR) AGONISTS; ATHEROSCLEROSIS AND CARDIOVASCULAR DISORDERS; FOR EXAMPLE, 3-(4-(2-(3-(2,4-DIMETHOXY-PHENYL)-1-HEPTYL-UREIDO)-ETHYL)-PHENYL)-2-ETHOXY -PROPIONIC ACID PFIZER INC. 2004-03-02 US disclosed
EP-1360172-A1 PPAR AGONISTS Pfizer Products Inc. (US) 2003-11-12 EP disclosed
US-20020165282-A1 Peroxisome proliferator activator receptor (PPAR) agonists; atherosclerosis and cardiovascular disorders; for example, 3-(4-(2-(3-(2,4-dimethoxy-phenyl)-1-heptyl-ureido)-ethyl)-phenyl)-2-ethoxy -propionic acid HAYWARD CHERYL M (US) 2002-11-07 US disclosed
WO-2002064549-A1 PPAR AGONISTS PFIZER PRODUCTS INC. (US) 2002-08-22 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-20020165282-A1 Peroxisome proliferator activator receptor (PPAR) agonists; atherosclerosis and cardiovascular disorders; for example, 3-(4-(2-(3-(2,4-dimethoxy-phenyl)-1-heptyl-ureido)-ethyl)-phenyl)-2-ethoxy -propionic acid PPARA, PPARG, PPARD HDAC3 353/4885HDAC1 1496/4885HDAC2 1468/4885

“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.