SCHEMBL13312477

SCHEMBL13312477

COc1cccc(C(=O)N2CCc3cccc(COc4ccc(CCC(=O)O)c(F)c4)c32)c1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGER2 P43116 5/20 0.51
PTGER4 P35408 4/20 0.51
FFAR1 O14842 9/20 0.47
FFAR4 Q5NUL3 1/20 0.44
POLB P06746 1/20 0.43
TSHR P16473 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
RXRG P48443 1/20 0.41
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40

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
SCHEMBL13312492 0.93 PTGER4 (0.53) PTGER2PTGER4FFAR1FFAR4POLB
SCHEMBL13312462 0.91 FFAR1 (0.46) PTGER2PTGER4FFAR1FFAR4RXRA
SCHEMBL13312487 0.91 PTGER4 (0.43) PTGER2PTGER4FFAR1FFAR4ALDH1A1
SCHEMBL13312482 0.91 FFAR1 (0.47) PTGER2PTGER4FFAR1FFAR4ALDH1A1
SCHEMBL13312479 0.91 FFAR1 (0.44) PTGER2PTGER4FFAR1FFAR4ALDH1A1
SCHEMBL13348240 0.89 PTGER2 (0.49) PTGER2PTGER4TSHRSMN1; SMN2ALDH1A1
SCHEMBL13312475 0.88 FFAR1 (0.43) PTGER2PTGER4FFAR1FFAR4ALDH1A1
SCHEMBL13312496 0.87 PTGER4 (0.61) PTGER2PTGER4FFAR1FFAR4POLB
SCHEMBL13312484 0.86 PTGER4 (0.45) PTGER2PTGER4FFAR1FFAR4RXRA
SCHEMBL13312059 0.86 RXRA (0.48) PTGER2PTGER4FFAR1FFAR4POLB

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 PTGER2 3346/4885PTGER4 1432/4885FFAR1 14/4885

“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.