SCHEMBL6927908

SCHEMBL6927908

CC(C(=O)O)(c1ccccc1)c1ccc2ccccc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.46
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
KIF11 P52732 1/20 0.44
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
KCNH2 Q12809 1/20 0.42
CES2 O00748 1/20 0.41

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
SCHEMBL10388605 0.84 CYP3A4 (0.43) PTPN1HDAC3HDAC4HDAC1HDAC7
SCHEMBL28673323 0.83 CYP3A4 (0.48) CYP3A4
SCHEMBL73063 0.82 HDAC3 (0.61) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4678770 0.81 PTPN1 (0.49) PTPN1KIF11CYP3A4CYP2D6SLC6A2
SCHEMBL9719820 0.81 PTPN1 (0.49) PTPN1KIF11CYP3A4CYP2D6SLC6A2
Bromomethane SCHEMBL209562 0.80 HDAC3 (0.59) HDAC3HDAC4HDAC1HDAC7HDAC2
Hydrochloric Acid SCHEMBL3674757 0.80 HDAC3 (0.59) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL28727492 0.80 HDAC3 (0.59) HDAC3HDAC4HDAC1HDAC7HDAC2
Hydrogen Sulfide SCHEMBL28066375 0.80 HDAC3 (0.59) HDAC3HDAC4HDAC1HDAC7HDAC2
Hydrogen Sulfide SCHEMBL27894390 0.80 HDAC3 (0.59) HDAC3HDAC4HDAC1HDAC7HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1104415-C Process for preparing 2-phenyl-3-naphthylpropionic acid derivatives DAIICHI SEIYAKU CO (JP) 2003-04-02 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-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-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-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
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
CN-1232449-A Process for preparing 2-phenyl-3-naphthylpropionic acid derivatives DAIICHI SEIYAKU CO (JP) 1999-10-20 CN 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 PTPN1 2909/4885HDAC3 1872/4885HDAC4 3100/4885

“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.