SCHEMBL3500903

SCHEMBL3500903

COC(=O)CCc1ccc(COc2cccc3c2N(Cc2ccccc2)CCC3)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 5/20 0.49
RXRB P28702 5/20 0.49
RXRG P48443 4/20 0.49
PTGER4 P35408 6/20 0.48
PTGER2 P43116 6/20 0.48
SMN1; SMN2 Q16637 2/20 0.41
PKM P14618 2/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NCOA3 Q9Y6Q9 1/20 0.41
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
FFAR1 O14842 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
SCHEMBL13312151 0.90 RXRB (0.61) RXRARXRBRXRGPTGER4PTGER2
SCHEMBL13709251 0.85 RXRA (0.45) RXRARXRBRXRGPTGER4PTGER2
SCHEMBL13312525 0.84 RXRA (0.59) RXRARXRBRXRGPTGER4PTGER2
SCHEMBL3502821 0.83 RXRA (0.53) RXRARXRBRXRGPTGER4PTGER2
SCHEMBL13312528 0.83 PTGER4 (0.57) RXRARXRBRXRGPTGER4PTGER2
SCHEMBL13709393 0.83 PTGER2 (0.53) RXRARXRBRXRGPTGER4PTGER2
SCHEMBL13312527 0.83 RXRA (0.55) RXRARXRBRXRGPTGER4PTGER2
SCHEMBL13312522 0.83 RXRA (0.55) RXRARXRBRXRGPTGER4PTGER2
SCHEMBL13709243 0.83 RXRA (0.43) RXRARXRBRXRGPTGER4PTGER2
SCHEMBL13709240 0.83 RXRA (0.43) RXRARXRBRXRGPTGER4PTGER2

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 5 patents. 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
US-20100152165-A1 CARBOXYLIC ACID DERIVATIVES ASTELLAS PHARMA INC. (JP) 2010-06-17 US disclosed
US-20100152165-A1 CARBOXYLIC ACID DERIVATIVES ASTELLAS PHARMA INC. (JP) 2010-06-17 US disclosed
EP-2096109-A1 CARBOXYLIC ACID DERIVATIVE Astellas Pharma Inc. (JP) 2009-09-02 EP disclosed
EP-2096109-A1 CARBOXYLIC ACID DERIVATIVE Astellas Pharma Inc. (JP) 2009-09-02 EP 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 RXRA 475/4885RXRB 465/4885RXRG 541/4885

“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.