SCHEMBL7944211

SCHEMBL7944211

CCCC(CCc1nn[nH]n1)[C@@H]1CCC(=O)[C@@H]1CCCCc1cccc(O)c1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 3/20 0.36
CYSLTR1 Q9Y271 5/20 0.35
CYSLTR2 Q9NS75 4/20 0.35
PIN1 Q13526 1/20 0.34
SLC22A12 Q96S37 1/20 0.33
PTGER2 P43116 1/20 0.32
DRD2 P14416 2/20 0.32
DRD3 P35462 2/20 0.32
DRD1 P21728 1/20 0.32
DRD4 P21917 1/20 0.32
DRD5 P21918 1/20 0.32
PLA2G2C Q5R387 2/20 0.32
OPRM1 P35372 1/20 0.31
OPRD1 P41143 1/20 0.31
OPRK1 P41145 1/20 0.31

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
SCHEMBL5613046 0.81 PTGER4 (0.42) PTGER4CYSLTR1CYSLTR2SLC22A12
SCHEMBL5604828 0.80 PTGER4 (0.43) PTGER4CYSLTR1CYSLTR2PIN1PTGER2
SCHEMBL7946133 0.67 MGLL (0.36) OPRM1OPRD1OPRK1
SCHEMBL6574958 0.62 PTGER4 (0.39) PTGER4PTGER2
SCHEMBL6574955 0.62 PTGER4 (0.39) PTGER4PTGER2
SCHEMBL6574951 0.62 PTGER4 (0.39) PTGER4PTGER2
SCHEMBL6574950 0.62 PTGER4 (0.39) PTGER4PTGER2
SCHEMBL7049372 0.61 MGLL (0.44) DRD2DRD3DRD1OPRM1OPRD1
SCHEMBL11711459 0.61 FAAH (0.33) PTGER4PTGER2
SCHEMBL647539 0.60 PTGS2 (0.64) DRD2DRD3DRD1DRD4DRD5

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-20010009920-A1 Estrogen agonist/antagonist and a prostaglandin or a prostaglandin agonist/antagonist KE HUA ZHU (US) 2001-07-26 US claimed

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-20010009920-A1 Estrogen agonist/antagonist and a prostaglandin or a prostaglandin agonist/antagonist PTGER1, PTGER2, PTGER4 PTGER4 3/4885CYSLTR1 81/4885CYSLTR2 63/4885

“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.