SCHEMBL13312644

SCHEMBL13312644

CCOC(=O)CCc1ccc(COc2cccc3c2N(Cc2cccnc2)CCC3)cc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRG P48443 4/20 0.47
RXRA P19793 4/20 0.47
RXRB P28702 4/20 0.47
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ACHE P22303 1/20 0.38
FFAR1 O14842 1/20 0.38
PTGER4 P35408 4/20 0.37
ALDH1A1 P00352 3/20 0.37
PTGER2 P43116 3/20 0.37
KDM1A O60341 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 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
SCHEMBL13312650 0.92 RXRA (0.49) RXRGRXRARXRBFFAR1PTGER4
SCHEMBL13312640 0.91 RXRA (0.54) RXRGRXRARXRBSMN1; SMN2FFAR1
SCHEMBL13312220 0.90 RXRB (0.59) RXRGRXRARXRBHTTSMN1; SMN2
SCHEMBL3501449 0.88 RXRA (0.50) RXRGRXRARXRBSMN1; SMN2FFAR1
SCHEMBL13312584 0.88 RXRA (0.54) RXRGRXRARXRBFFAR1PTGER4
SCHEMBL13312649 0.87 RXRA (0.48) RXRGRXRARXRBFFAR1PTGER4
SCHEMBL13312646 0.87 RXRA (0.49) RXRGRXRARXRBFFAR1PTGER4
SCHEMBL13312636 0.86 RXRA (0.53) RXRGRXRARXRBHTTFFAR1
SCHEMBL13312641 0.86 RXRA (0.48) RXRGRXRARXRBFFAR1PTGER4
SCHEMBL3502742 0.86 RXRA (0.53) RXRGRXRARXRBFFAR1PTGER4

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-20100152165-A1 CARBOXYLIC ACID DERIVATIVES ASTELLAS PHARMA INC. (JP) 2010-06-17 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-20100152165-A1 CARBOXYLIC ACID DERIVATIVES GPR119, GPR65, HCAR1 RXRG 541/4885RXRA 475/4885RXRB 465/4885

“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.