SCHEMBL13348116

SCHEMBL13348116

COc1ccc(CN2CCCc3cccc(OCc4ccc(CCC=O)c(F)c4)c32)cc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RXRG P48443 4/20 0.45
RXRA P19793 4/20 0.45
RXRB P28702 4/20 0.45
PTGER4 P35408 6/20 0.45
PTGER2 P43116 6/20 0.45
ADRB3 P13945 2/20 0.39
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39
FFAR1 O14842 1/20 0.38
HDAC1 Q13547 1/20 0.36
KDM1A O60341 2/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ABCB1 P08183 1/20 0.35

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
SCHEMBL13348236 0.92 RXRB (0.49) RXRGRXRARXRBPTGER4PTGER2
SCHEMBL13348054 0.91 RXRA (0.47) RXRGRXRARXRBPTGER4PTGER2
SCHEMBL13348163 0.90 RXRG (0.45) RXRGRXRARXRBPTGER4PTGER2
SCHEMBL13348121 0.89 RXRG (0.45) RXRGRXRARXRBPTGER4PTGER2
SCHEMBL13348157 0.89 RXRA (0.48) RXRGRXRARXRBPTGER4PTGER2
SCHEMBL13312230 0.87 RXRG (0.62) RXRGRXRARXRBPTGER4PTGER2
SCHEMBL13348265 0.87 RXRA (0.47) RXRGRXRARXRBPTGER4PTGER2
SCHEMBL13348037 0.86 RXRA (0.47) RXRGRXRARXRBPTGER4PTGER2
SCHEMBL13348051 0.86 RXRG (0.43) RXRGRXRARXRBPTGER4PTGER2
SCHEMBL13348154 0.85 RXRA (0.46) RXRGRXRARXRBPTGER4PTGER2

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.