SCHEMBL5606469

SCHEMBL5606469

CC(=Cc1ccc(O)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
KDM4E B2RXH2 2/20 0.50
MIF P14174 2/20 0.49
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ESR1 P03372 2/20 0.43
ESR2 Q92731 2/20 0.43
NQO2 P16083 2/20 0.40
PTGS1 P23219 2/20 0.40
PTGS2 P35354 2/20 0.40
CYP2C9 P11712 1/20 0.39
AKR1C3 P42330 1/20 0.39
ABCG2 Q9UNQ0 2/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
TYR P14679 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39

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
SCHEMBL20853874 0.84 AKR1C3 (0.58) ALDH1A1MEN1KMT2ACYP2C9AKR1C3
SCHEMBL28915528 0.84 AKR1C3 (0.58) ALDH1A1MEN1KMT2ACYP2C9AKR1C3
SCHEMBL7302409 0.83 ALDH1A1 (0.53) ALDH1A1KDM4EKMT2ACYP2C9AKR1C3
SCHEMBL7302403 0.83 ALDH1A1 (0.53) ALDH1A1KDM4EKMT2ACYP2C9AKR1C3
SCHEMBL3467936 0.83 ESR1 (0.47) ALDH1A1KDM4EMIFMEN1KMT2A
SCHEMBL7316708 0.81 ALDH1A1 (0.51) ALDH1A1KDM4ECA12CA1CA2
SCHEMBL7316713 0.81 ALDH1A1 (0.51) ALDH1A1KDM4ECA12CA1CA2
SCHEMBL9335450 0.80 KDM4E (0.55) ALDH1A1KDM4EMIFESR1ESR2
SCHEMBL5606968 0.80 KDM4E (0.55) ALDH1A1KDM4EMIFESR1ESR2
SCHEMBL5606467 0.80 ABCG2 (0.54) ALDH1A1KDM4EMIFMEN1KMT2A

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 ALDH1A1 5/4885KDM4E 3298/4885MIF 2713/4885

“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.