Phenylacetic Acid

Phenylacetic Acid

SCHEMBL6047713

O=C(O)C[C]1C=C[CH]C=C1

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 3/20 0.39
CA2 P00918 1/20 0.36
CAMK2A Q9UQM7 1/20 0.36
TSHR P16473 3/20 0.33
HSD17B10 Q99714 3/20 0.33
LMNA P02545 2/20 0.33
GAA P10253 2/20 0.33
GABRA5 P31644 2/20 0.33
GABRB2 P47870 2/20 0.33
ABCC4 O15439 1/20 0.33
PTGS1 P23219 1/20 0.33
HTT P42858 1/20 0.33
NFKB1 P19838 2/20 0.32
KDM4E B2RXH2 2/20 0.32
MAPT P10636 2/20 0.32
HPGD P15428 2/20 0.32
PMP22 Q01453 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
RGS12 O14924 1/20 0.32
POLB P06746 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
Benzoic Acid SCHEMBL1759391 0.63
SCHEMBL69614 0.59 CA2 (0.79) AKR1B1CA2CAMK2ATSHRHSD17B10
SCHEMBL29414131 0.59 AKR1B1 (0.39) AKR1B1CA2CAMK2ATSHRHSD17B10
SCHEMBL583915 0.59 AKR1B1 (0.60) AKR1B1CA2CAMK2ATSHRHSD17B10
SCHEMBL28598263 0.59 AKR1B1 (0.44) AKR1B1CA2CAMK2ATSHRHSD17B10
SCHEMBL29048386 0.59 AKR1B1 (0.52) AKR1B1CA2CAMK2ATSHRHSD17B10
Benzophenone SCHEMBL2843203 0.59
Phenylacetic Acid SCHEMBL28282210 0.58 AKR1B1 (0.90) AKR1B1CA2CAMK2ATSHRLMNA
SCHEMBL6679099 0.58
Hydrochloric Acid SCHEMBL25180348 0.57 CA2 (0.75) AKR1B1CA2CAMK2ATSHRHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7074387-B2 DTPA monoamides, pharmaceutical agents containing these compounds, their use and process for their production SCHERING AG (DE) 2006-07-11 US claimed
US-20030202943-A1 DTPA monoamides, pharmaceutical agents containing these compounds, their use and process for their production SCHERING AKTIENGESELLSCHAFT (DE) 2003-10-30 US claimed
US-6565830-B1 Contrast agent for imaging SCHERING AKTIENGESELLSCHAFT (DE) 2003-05-20 US claimed
US-6287538-B1 CONTRAST AGENT SCHERING AKTIENGESELLSCHAFT (DE) 2001-09-11 US claimed
US-5859214-A DTPA monoamides, pharmaceutical agents containing these compounds, their use and process for their production SCHERING AKTIENGESELLSHAFT (DE) 1999-01-12 US claimed
US-5843399-A DTPA monoamides for MRI SCHERING AKTIENGESELLSCHAFT (DE) 1998-12-01 US claimed
EP-0450742-B1 DTPA-Monoamids, pharmaceutical compositions containing them, their use and process for their preparation SCHERING AG (DE) 1994-07-06 EP claimed
US-7074387-B2 DTPA monoamides, pharmaceutical agents containing these compounds, their use and process for their production SCHERING AG (DE) 2006-07-11 US disclosed
US-20030202943-A1 DTPA monoamides, pharmaceutical agents containing these compounds, their use and process for their production SCHERING AKTIENGESELLSCHAFT (DE) 2003-10-30 US disclosed
US-6565830-B1 Contrast agent for imaging SCHERING AKTIENGESELLSCHAFT (DE) 2003-05-20 US disclosed
US-6287538-B1 CONTRAST AGENT SCHERING AKTIENGESELLSCHAFT (DE) 2001-09-11 US disclosed
US-5859214-A DTPA monoamides, pharmaceutical agents containing these compounds, their use and process for their production SCHERING AKTIENGESELLSHAFT (DE) 1999-01-12 US disclosed
US-5843399-A DTPA monoamides for MRI SCHERING AKTIENGESELLSCHAFT (DE) 1998-12-01 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 (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-20030202943-A1 DTPA monoamides, pharmaceutical agents containing these compounds, their use and process for their production SLC43A1, HRH4, ACSL6 AKR1B1 986/4885CA2 13/4885CAMK2A 2017/4885

“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.