SCHEMBL5606723

SCHEMBL5606723

CCCCO/C(=C\c1ccc(O)cc1)C(=O)OC

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.51
CYP1A2 P05177 2/20 0.51
CYP2C19 P33261 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
LMNA P02545 1/20 0.51
CYP2D6 P10635 1/20 0.51
TSHR P16473 1/20 0.51
MAPK1 P28482 1/20 0.51
NR1H2 P55055 1/20 0.51
RNASEL Q05823 1/20 0.51
ABCG2 Q9UNQ0 6/20 0.46
APP P05067 1/20 0.43
MIF P14174 2/20 0.42
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP13 P45452 1/20 0.41
LTA4H P09960 1/20 0.41
NR5A1 Q13285 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
SCHEMBL5606727 1.00 ESR1 (0.51) ESR1CYP1A2CYP2C19SMN1; SMN2LMNA
SCHEMBL5607343 0.91 ALDH1A1 (0.49) ESR1TSHRABCG2APPMIF
SCHEMBL5607346 0.91 ALDH1A1 (0.49) ESR1TSHRABCG2APPMIF
SCHEMBL5607541 0.91 ESR1 (0.54) ESR1CYP1A2CYP2C19SMN1; SMN2LMNA
SCHEMBL5607536 0.91 ESR1 (0.54) ESR1CYP1A2CYP2C19SMN1; SMN2LMNA
SCHEMBL5606821 0.89 ESR1 (0.51) ESR1CYP1A2CYP2C19SMN1; SMN2LMNA
SCHEMBL6062328 0.89 ESR1 (0.51) ESR1CYP1A2CYP2C19SMN1; SMN2LMNA
SCHEMBL5607647 0.89 ESR1 (0.51) ESR1CYP1A2CYP2C19SMN1; SMN2LMNA
SCHEMBL5607409 0.89 ESR1 (0.51) ESR1CYP1A2CYP2C19SMN1; SMN2LMNA
SCHEMBL5607642 0.89 ESR1 (0.51) ESR1CYP1A2CYP2C19SMN1; SMN2LMNA

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 2687/4885CYP1A2 489/4885CYP2C19 464/4885

“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.