SCHEMBL5606972

SCHEMBL5606972

CC(=Cc1ccc(O)cc1)C(=O)O.[LiH]

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.67
ALDH1A1 P00352 3/20 0.59
KDM4E B2RXH2 2/20 0.59
CISD1 Q9NZ45 1/20 0.52
SLC16A3 O15427 1/20 0.52
CYP3A4 P08684 1/20 0.52
HPGD P15428 1/20 0.52
SLC16A1 P53985 1/20 0.52
GPR35 Q9HC97 1/20 0.52
ESR1 P03372 4/20 0.50
ESR2 Q92731 3/20 0.50
PTGS2 P35354 2/20 0.46
NQO2 P16083 1/20 0.46
PTGS1 P23219 1/20 0.46
TBXAS1 P24557 5/20 0.45
TYR P14679 2/20 0.45
CA12 O43570 1/20 0.45
AKR1B10 O60218 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45

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
SCHEMBL83883 0.98 AKR1C3 (0.69) AKR1C3ALDH1A1KDM4ECISD1SLC16A3
SCHEMBL83882 0.98 AKR1C3 (0.69) AKR1C3ALDH1A1KDM4ECISD1SLC16A3
SCHEMBL5606699 0.96 AKR1C3 (0.67) AKR1C3ALDH1A1KDM4ECISD1SLC16A3
SCHEMBL5607117 0.96 AKR1C3 (0.67) AKR1C3ALDH1A1KDM4ECISD1SLC16A3
SCHEMBL5607416 0.96 AKR1C3 (0.67) AKR1C3ALDH1A1KDM4ECISD1SLC16A3
SCHEMBL5607459 0.96 AKR1C3 (0.67) AKR1C3ALDH1A1KDM4ECISD1SLC16A3
SCHEMBL5607625 0.96 AKR1C3 (0.67) AKR1C3ALDH1A1KDM4ECISD1SLC16A3
SCHEMBL5607681 0.96 AKR1C3 (0.67) AKR1C3ALDH1A1KDM4ECISD1SLC16A3
SCHEMBL5607656 0.96 AKR1C3 (0.67) AKR1C3ALDH1A1KDM4ECISD1SLC16A3
Ammonia Solution, Strong SCHEMBL5607443 0.96 AKR1C3 (0.67) AKR1C3ALDH1A1KDM4ECISD1SLC16A3

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-20070142472-A1 Process for producing optically active 3-(4-hydroxyphenyl)proprionic acids TAKASAGO INTERNATIONAL CORPORATION (JP) 2007-06-21 US disclosed
EP-1687250-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE 3-(4-HYDROXYPHENYL)PROPIONIC ACIDS Takasago International Corporation (JP) 2006-08-09 EP disclosed
WO-2005051882-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE 3-(4-HYDROXYPHENYL)PROPIONIC ACIDS TAKASAGO INTERNATIONAL CORPORATION (JP) 2005-06-09 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-20070142472-A1 Process for producing optically active 3-(4-hydroxyphenyl)proprionic acids ALDH1A2, ALDH1A3, GRHPR AKR1C3 16/4885ALDH1A1 5/4885KDM4E 3298/4885

“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.