SCHEMBL5606791

SCHEMBL5606791

CCCOC(=O)C(C)=Cc1ccc(O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.51
ALDH1A1 P00352 2/20 0.51
TSHR P16473 2/20 0.51
CHRM1 P11229 1/20 0.51
SLC6A2 P23975 1/20 0.51
KDR P35968 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
KDM4E B2RXH2 1/20 0.47
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
LMNA P02545 3/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
MAPK1 P28482 2/20 0.43
MAPT P10636 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43

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
SCHEMBL5607649 0.91 ESR1 (0.54) ESR1ALDH1A1TSHRCHRM1SLC6A2
SCHEMBL9820484 0.89 TSHR (0.49) ESR1ALDH1A1TSHRKDM4ECA12
SCHEMBL29171774 0.87 ALDH1A1 (0.47) ESR1ALDH1A1TSHRCHRM1SLC6A2
SCHEMBL12035802 0.87 KMT2A (0.57) ESR1ALDH1A1KDM4ECA12CA1
SCHEMBL5617201 0.87 KMT2A (0.57) ESR1ALDH1A1KDM4ECA12CA1
SCHEMBL12869950 0.85 MEN1 (0.56) ESR1ALDH1A1TSHRCHRM1SLC6A2
SCHEMBL1683262 0.85 MEN1 (0.56) ALDH1A1TSHRKDM4ELMNAMEN1
SCHEMBL5607399 0.84 ESR1 (0.51) ESR1ALDH1A1TSHRCHRM1SLC6A2
SCHEMBL5607402 0.84 ESR1 (0.51) ESR1ALDH1A1TSHRCHRM1SLC6A2
SCHEMBL27314946 0.84 MEN1 (0.43) ESR1ALDH1A1TSHRCHRM1SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110982537-A Polymerizable compound, and liquid crystal composition and liquid crystal display element using same DIC株式会社 2020-04-10 CN disclosed
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 2687/4885ALDH1A1 5/4885TSHR 2253/4885

“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.