SCHEMBL6928725

SCHEMBL6928725

CC(C(=O)O)c1cc2ccccc2cc1-c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.50
PTGS1 P23219 5/20 0.50
AKR1C3 P42330 3/20 0.50
AKR1C2 P52895 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
CYP1A2 P05177 2/20 0.50
CYP2C9 P11712 2/20 0.50
CYP2C19 P33261 2/20 0.50
FABP2 P12104 1/20 0.50
TSHR P16473 1/20 0.50
AKR1C4 P17516 1/20 0.50
ADRA2B P18089 1/20 0.50
CHRM3 P20309 1/20 0.50
HTR2C P28335 1/20 0.50
DRD3 P35462 1/20 0.50
AKR1C1 Q04828 1/20 0.50
SLC22A6 Q4U2R8 1/20 0.50
LMNA P02545 1/20 0.50
MAPT P10636 1/20 0.50

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
SCHEMBL17319669 0.85 AKR1C3 (0.57) PTGS2PTGS1AKR1C3AKR1C2CYP1A2
SCHEMBL27523133 0.79 PTGS2 (0.45) PTGS2PTGS1AKR1C3AKR1C2CYP1A2
SCHEMBL2393839 0.78 PTGS2 (0.56) PTGS2PTGS1AKR1C3AKR1C2MEN1
SCHEMBL2126514 0.77 PTGS1 (0.44) PTGS2PTGS1AKR1C3AKR1C2CYP1A2
SCHEMBL10938462 0.77 IDO1 (0.55) PTGS2PTGS1AKR1C3AKR1C2CYP1A2
SCHEMBL23366313 0.77 PTGS2 (0.43) PTGS2MEN1KMT2ATSHRMAPT
SCHEMBL8479916 0.77 PTGS2 (0.58) PTGS2PTGS1AKR1C3AKR1C2MEN1
Biphenyl SCHEMBL7876282 0.77 PTGS2 (0.58) PTGS2PTGS1AKR1C3AKR1C2MEN1
SCHEMBL17319666 0.74 KLK7 (0.49) PTGS2PTGS1AKR1C3AKR1C2CYP1A2
SCHEMBL15641308 0.74 AKR1B1 (0.53) PTGS2PTGS1AKR1C3AKR1C2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1241913-C Method of preparing 2-phenyl-3-naphthyl propionic acid derivative DAIICHI SEIYAKU CO (JP) 2006-02-15 CN disclosed
CN-1535954-A Method of preparing 2-phenyl-3-naphthyl propionic acid derivative 第一制药株式会社 2004-10-13 CN disclosed
CN-1535955-A Method of preparing 2-phenyl-3-naphthyl propionic acid derivative 第一制药株式会社 2004-10-13 CN disclosed
US-6515142-B2 Intermediates of aromatic amidine derivatives which have anticoagulation action DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-02-04 US disclosed
US-20020062033-A1 Process for preparing 2-phenyl-3-naphthylpropionic acid derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2002-05-23 US disclosed
US-6337405-B1 MULTISTAGE REACTION OF PYRROLE SUBSTITUTED WITH SULFONATE GROUPS AND HYDROXYPHENYLACETIC ACID DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2002-01-08 US disclosed
US-6252088-B1 COUPLING A NITRILE CONTAININ NAPHTHALENE COMPOUND WITH A COMPOUND CONTAINING PROPIONIC ACID GROUP DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2001-06-26 US disclosed
EP-0936215-A1 PROCESS FOR PREPARING 2-PHENYL-3-NAPHTHYLPROPIONIC ACID DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1999-08-18 EP 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-20020062033-A1 Process for preparing 2-phenyl-3-naphthylpropionic acid derivatives PROC, F12, F2 PTGS2 2033/4885PTGS1 1892/4885AKR1C3 850/4885

“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.