SCHEMBL2806056

SCHEMBL2806056

COCCCn1c(C)c(C)c2ccc(C(=O)O)cc21

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 5/20 0.47
PARP1 P09874 1/20 0.45
HCAR3 P49019 1/20 0.43
ALDH1A1 P00352 4/20 0.43
CSNK2A2 P19784 1/20 0.42
CSNK2B P67870 1/20 0.42
CSNK2A1 P68400 1/20 0.42
KMT2A Q03164 1/20 0.42
CNR2 P34972 1/20 0.42
POLB P06746 1/20 0.41
RAD52 P43351 1/20 0.41
KDM4E B2RXH2 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MCL1 Q07820 1/20 0.40
PPARG P37231 2/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 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
SCHEMBL19512230 0.88 MCL1 (0.46) PTGER4PARP1HCAR3ALDH1A1CSNK2A2
SCHEMBL2935768 0.77 SLC22A12 (0.58) PTGER4HCAR3ALDH1A1CNR2MCL1
SCHEMBL14448731 0.77 PPARG (0.43) PARP1ALDH1A1CSNK2A2CSNK2BCSNK2A1
SCHEMBL4506807 0.75 PPARG (0.61) ALDH1A1KMT2APPARG
SCHEMBL28092003 0.74 PPARG (0.54) ALDH1A1KMT2ACNR2POLBRAD52
SCHEMBL12523931 0.73 MCL1 (0.47) HCAR3ALDH1A1CNR2MCL1
SCHEMBL18941207 0.72 RAD52 (0.61) PTGER4ALDH1A1CSNK2A1KMT2ACNR2
SCHEMBL18966441 0.71 HPGD (0.66) HCAR3ALDH1A1KMT2ACNR2POLB
SCHEMBL2930757 0.71 MCL1 (0.67) HCAR3ALDH1A1POLBKDM4EHSD17B10
SCHEMBL13578013 0.71 SLC22A12 (0.61) PTGER4HCAR3ALDH1A1

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-20100240644-A1 MORPHOLINE DERIVATIVE SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2010-09-23 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-20100240644-A1 MORPHOLINE DERIVATIVE REN, AGTR1, AGTR2 PTGER4 873/4885PARP1 3636/4885HCAR3 1486/4885

“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.