SCHEMBL23268917

SCHEMBL23268917

COc1cc(C)ccc1OCCC(=O)O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.66
L3MBTL1 Q9Y468 9/20 0.63
ALDH1A1 P00352 3/20 0.63
TSHR P16473 1/20 0.62
MAPT P10636 7/20 0.58
HTT P42858 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
HPGD P15428 5/20 0.58
CYP2C9 P11712 3/20 0.58
CYP2C19 P33261 3/20 0.58
NPSR1 Q6W5P4 2/20 0.58
POLB P06746 2/20 0.58
MEN1 O00255 1/20 0.58
USP2 O75604 1/20 0.58
ALOX12 P18054 1/20 0.58
MAPK1 P28482 1/20 0.58
KMT2A Q03164 1/20 0.58
HSP90AA1 P07900 1/20 0.57
KDM4E B2RXH2 4/20 0.56
PPARA Q07869 1/20 0.56

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
SCHEMBL26451030 0.94 LMNA (0.66) LMNAL3MBTL1ALDH1A1TSHRMAPT
SCHEMBL21939515 0.86 TSHR (0.60) LMNAL3MBTL1ALDH1A1TSHRMAPT
SCHEMBL2988803 0.84 LMNA (0.66) LMNAL3MBTL1ALDH1A1TSHRMAPT
SCHEMBL10359783 0.84 PPARG (0.67) LMNAL3MBTL1ALDH1A1TSHRMAPT
SCHEMBL5275178 0.83 POLB (0.64) LMNAL3MBTL1ALDH1A1TSHRMAPT
SCHEMBL3724645 0.83 TSHR (0.66) LMNAL3MBTL1ALDH1A1TSHRHTT
SCHEMBL3727479 0.83 TSHR (0.87) LMNAL3MBTL1ALDH1A1TSHRHTT
SCHEMBL10747497 0.83 LMNA (0.64) LMNAL3MBTL1ALDH1A1TSHRMAPT
SCHEMBL30287224 0.83 LMNA (0.64) LMNAL3MBTL1ALDH1A1TSHRMAPT
SCHEMBL22622262 0.81 LMNA (0.62) LMNAALDH1A1SMN1; SMN2POLBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11839613-B2 Pyrimidine derivatives as PGE2 receptor modulators IDORSIA PHARMACEUTICALS LTD (CH) 2023-12-12 US disclosed
US-11839613-B2 Pyrimidine derivatives as PGE2 receptor modulators IDORSIA PHARMACEUTICALS LTD (CH) 2023-12-12 US disclosed
EP-3625228-B1 PYRIMIDINE DERIVATIVES AS PGE2 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2021-07-07 EP disclosed
US-20210113559-A1 PYRIMIDINE DERIVATIVES AS PGE2 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2021-04-22 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 (2 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-11839613-B2 Pyrimidine derivatives as PGE2 receptor modulators PTGER1, PTGER4, PTGER2 LMNA 4601/4885L3MBTL1 4507/4885ALDH1A1 468/4885
US-20210113559-A1 PYRIMIDINE DERIVATIVES AS PGE2 RECEPTOR MODULATORS PTGER1, PTGER4, PTGER2 LMNA 4601/4885L3MBTL1 4507/4885ALDH1A1 468/4885

“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.