SCHEMBL1409528

SCHEMBL1409528

CC/C(=C\C(=O)O)c1ccc(-c2ccc(OC)c(C(F)(F)F)c2)o1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.45
RXRB P28702 2/20 0.45
RXRG P48443 2/20 0.45
KDM4E B2RXH2 3/20 0.44
S1PR1 P21453 4/20 0.43
S1PR5 Q9H228 1/20 0.42
PDE7A Q13946 2/20 0.41
PDE3A Q14432 2/20 0.41
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALOX5 P09917 1/20 0.39
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
MAPT P10636 1/20 0.39
PDE4A P27815 1/20 0.38
PTGDR2 Q9Y5Y4 2/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL1410091 0.87 RPA1 (0.43) RXRARXRBRXRGKDM4ELMNA
SCHEMBL1410412 0.79 RXRA (0.44) RXRARXRBRXRGKDM4EALDH1A1
SCHEMBL1410151 0.79 CYP1A2 (0.57) KDM4ESMN1; SMN2ALDH1A1HPGDCYP1A2
SCHEMBL1410275 0.78 RXRA (0.54) RXRARXRBRXRGKDM4EALDH1A1
SCHEMBL1409530 0.77 PSEN1 (0.42) RXRARXRBRXRGKDM4ES1PR1
SCHEMBL1410228 0.77 PDE7A (0.48) RXRARXRBRXRGKDM4EPDE7A
SCHEMBL1409349 0.77 ALDH1A1 (0.47) KDM4EPDE7APDE3ALMNASMN1; SMN2
SCHEMBL14300696 0.76 ALDH1A1 (0.59) KDM4ES1PR1LMNASMN1; SMN2ALDH1A1
SCHEMBL14300697 0.76 ALDH1A1 (0.59) KDM4ES1PR1LMNASMN1; SMN2ALDH1A1
SCHEMBL1410592 0.76 RXRA (0.48) RXRARXRBRXRGKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110251187-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-10-13 US 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-20110251187-A1 HETEROCYCLIC COMPOUND NES, BMI1, DOT1L RXRA 1004/4885RXRB 1230/4885RXRG 1250/4885

“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.