SCHEMBL6325529

SCHEMBL6325529

COc1ccc2c(c1)CCC=C2C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPO P05164 1/20 0.59
KDM4E B2RXH2 4/20 0.55
GLA P06280 2/20 0.55
MEN1 O00255 1/20 0.50
ALPL P05186 1/20 0.50
CLK1 P49759 1/20 0.50
KMT2A Q03164 1/20 0.50
HSD17B10 Q99714 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.47
MAPT P10636 3/20 0.47
RAB9A P51151 3/20 0.47
NPC1 O15118 2/20 0.47
GAA P10253 1/20 0.47
ATM Q13315 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ELANE P08246 1/20 0.46
MIF P14174 2/20 0.45
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43

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
SCHEMBL30940179 0.88 MPO (0.56) MPOKDM4EGLAMEN1ALPL
SCHEMBL14355553 0.88 MPO (0.56) MPOKDM4EGLAMEN1ALPL
SCHEMBL6331474 0.88 MPO (0.48) MPOKDM4EGLASMN1; SMN2MAPT
SCHEMBL7192918 0.81 MPO (0.52) MPOKDM4EGLAMEN1ALPL
SCHEMBL3452288 0.81 MPO (0.67) MPOKDM4EGLAMEN1ALPL
SCHEMBL31285043 0.80 MPO (0.66) MPOKDM4EGLAMEN1ALPL
SCHEMBL7496946 0.80 TUBB1 (0.53) MPOSMN1; SMN2MAPTL3MBTL1
SCHEMBL15495132 0.78 MPO (0.44) MPOKDM4EGLASMN1; SMN2MAPT
SCHEMBL15874725 0.78 MPO (0.55) MPOKDM4EGLAMEN1ALPL
SCHEMBL316976 0.77 MPO (0.66) MPOKDM4EGLAMAPTELANE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017123518-A1 AMINOTRIAZOLE IMMUNOMODULATORS FOR TREATING AUTOIMMUNE DISEASES THE ROCKEFELLER UNIVERSITY (US) 2017-07-20 WO disclosed
US-20050009903-A1 CB2-selective cannabinoid analogues CLEMSON UNIVERSITY 2005-01-13 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-20050009903-A1 CB2-selective cannabinoid analogues CNR2, CNR1, GPR68 MPO 4497/4885KDM4E 2063/4885GLA 2605/4885

“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.