SCHEMBL5607649

SCHEMBL5607649

CCCCOC(=O)C(C)=Cc1ccc(O)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.54
TSHR P16473 3/20 0.54
LMNA P02545 2/20 0.54
MAPK1 P28482 2/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C19 P33261 1/20 0.54
NR1H2 P55055 1/20 0.54
RNASEL Q05823 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
ABCG2 Q9UNQ0 2/20 0.47
ALDH1A1 P00352 3/20 0.45
APP P05067 2/20 0.45
KDM4E B2RXH2 2/20 0.45
MIF P14174 1/20 0.43
LTA4H P09960 2/20 0.42
NR5A1 Q13285 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42

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
SCHEMBL9820484 0.95 TSHR (0.49) ESR1TSHRLMNAMAPK1CYP1A2
SCHEMBL5606791 0.91 ESR1 (0.51) ESR1TSHRLMNAMAPK1CYP1A2
SCHEMBL27463291 0.87 CYP1A2 (0.46) LMNACYP1A2CYP2D6CYP2C19SMN1; SMN2
SCHEMBL8702266 0.86 KDM4E (0.53) TSHRLMNAMAPK1SMN1; SMN2ALDH1A1
SCHEMBL11523935 0.86 ESR1 (0.55) ESR1TSHRLMNAMAPK1CYP1A2
SCHEMBL2532167 0.86 KDM4E (0.53) TSHRLMNAMAPK1SMN1; SMN2ALDH1A1
SCHEMBL5607536 0.85 ESR1 (0.54) ESR1TSHRLMNAMAPK1CYP1A2
SCHEMBL5607541 0.85 ESR1 (0.54) ESR1TSHRLMNAMAPK1CYP1A2
SCHEMBL29171774 0.84 ALDH1A1 (0.47) ESR1TSHRLMNAMAPK1CYP1A2
SCHEMBL12035802 0.84 KMT2A (0.57) ESR1LMNAMAPK1CYP1A2CYP2C19

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 ESR1 2687/4885TSHR 2253/4885LMNA 1420/4885

“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.