SCHEMBL2582093

SCHEMBL2582093

C/C=C(\C)CCC=C(C)CC1(c2ccccc2)CC(=O)c2ccccc2O1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.40
SIGMAR1 Q99720 1/20 0.35
ATM Q13315 1/20 0.34
MAPT P10636 2/20 0.34
PGR P06401 1/20 0.34
HTR1A P08908 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
PTGS1 P23219 1/20 0.34
PDE4A P27815 1/20 0.34
MAPK1 P28482 1/20 0.34
DRD3 P35462 1/20 0.34
SNCA P37840 1/20 0.34
PDE3A Q14432 1/20 0.34
CYP2C9 P11712 3/20 0.33
LMNA P02545 2/20 0.33
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 2/20 0.33
HIF1A Q16665 2/20 0.33
ALDH1A1 P00352 1/20 0.33
ALOX15 P16050 1/20 0.33

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
SCHEMBL4259494 0.83 MAPT (0.41) PTGS2SIGMAR1ATMMAPTPGR
SCHEMBL4259499 0.83 MAPT (0.41) PTGS2SIGMAR1ATMMAPTPGR
SCHEMBL142562 0.78 HSP90AA1 (0.41) SIGMAR1ATMCYP2C9HRH3EGFR
SCHEMBL28881800 0.75 SIGMAR1 (0.39) SIGMAR1ATMCYP3A4ALDH1A1ALOX15
SCHEMBL29258996 0.74 SIGMAR1 (0.45) SIGMAR1ATMMAPTADORA3CYP2C9
SCHEMBL6561518 0.74 SIGMAR1 (0.45) SIGMAR1ATMMAPTADORA3CYP2C9
SCHEMBL27281924 0.74 SIGMAR1 (0.45) SIGMAR1ATMCYP2C9LMNACYP1A2
SCHEMBL5824199 0.74 ALDH1A1 (0.45) PTGS2CYP2C9CYP1A2CYP3A4ALDH1A1
SCHEMBL27794644 0.72 SIGMAR1 (0.45) SIGMAR1ATMADORA3CYP2C9ALDH1A1
SCHEMBL28461980 0.71 SIGMAR1 (0.50) SIGMAR1ATMHTR1AADORA3LMNA

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
US-8067622-B2 Method for producing naringenin derivatives from xanthohumol HOPSTEINER-HALLERTAUER HOPFENVEREDELUNGSGESELLSCHAFT M.B.H. (DE) 2011-11-29 US disclosed
US-20090227806-A1 METHOD FOR PRODUCING NARINGENIN DERIVATIVES FROM XANTHOHUMOL HOPSTEINER-HALLERTAUER HOPFENVEREDELUNGSGESELLSCHAFT M.B.H. (DE) 2009-09-10 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-20090227806-A1 METHOD FOR PRODUCING NARINGENIN DERIVATIVES FROM XANTHOHUMOL CYP8B1, DOHH, XDH PTGS2 459/4885SIGMAR1 2533/4885ATM 2985/4885

“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.