SCHEMBL5032009

SCHEMBL5032009

CC1=C(c2ccccc2)C(C)C(C)C1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
LMNA P02545 2/20 0.36
MAPT P10636 2/20 0.34
HTT P42858 1/20 0.34
PTGS2 P35354 2/20 0.33
PDE4B Q07343 1/20 0.32
ALDH1A1 P00352 2/20 0.32
BRD4 O60885 1/20 0.32
POLB P06746 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
GAA P10253 2/20 0.31
CFTR P13569 1/20 0.31
GOPC Q9HD26 1/20 0.31
KDM4E B2RXH2 1/20 0.31
PLA2G10 O15496 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
ATM Q13315 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL5548058 0.85 CRHBP (0.33) CRHBPCRHR2LMNAMAPTPOLB
SCHEMBL5027310 0.81 CRHBP (0.37) CRHBPCRHR2LMNAMAPTHTT
SCHEMBL31678621 0.68 ACHE (0.40) CRHBPCRHR2LMNAMAPTHTT
SCHEMBL4072850 0.68 MAPT (0.32) MAPTKDM4EHSD17B10
SCHEMBL7256745 0.67 PTGS2 (0.41) CRHBPCRHR2LMNAMAPTHTT
SCHEMBL11088564 0.67 PTGS2 (0.40) CRHBPCRHR2LMNAPTGS2BRD4
SCHEMBL5029403 0.65 SMN1; SMN2 (0.38) CRHBPCRHR2LMNAMAPTALDH1A1
SCHEMBL1469805 0.65 CRHBP (0.40) CRHBPCRHR2LMNAMAPTHTT
SCHEMBL3686925 0.65 ALDH1A1 (0.35) CRHBPCRHR2LMNAPTGS2ALDH1A1
SCHEMBL9250727 0.65 ALDH1A1 (0.35) CRHBPCRHR2LMNAPTGS2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1812370-B1 SYNTHESIS OF CYCLOPENTENONES FIRMENICH & CIE (CH) 2008-06-25 EP disclosed
US-7279605-B2 Synthesis of cyclopentenones FIRMENICH SA (CH) 2007-10-09 US disclosed
US-20070197833-A1 SYNTHESIS OF CYCLOPENTENONES FIRMENICH SA (CH) 2007-08-23 US disclosed
EP-1812370-A2 SYNTHESIS OF CYCLOPENTENONES FIRMENICH SA (CH) 2007-08-01 EP disclosed
WO-2006051503-A2 SYNTHESIS OF CYCLOPENTENONES FIRMENICH SA (CH) 2006-05-18 WO 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-20070197833-A1 SYNTHESIS OF CYCLOPENTENONES COASY, CBR3, PPIC CRHBP 4186/4885CRHR2 3982/4885LMNA 3460/4885

“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.