SCHEMBL5879437

SCHEMBL5879437

Cc1cc(CC2CO2)c(OCc2ccccc2)c(CC2CO2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.40
GAA P10253 1/20 0.40
ALDH1A1 P00352 1/20 0.39
GLA P06280 1/20 0.39
MAOB P27338 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
PTGER4 P35408 2/20 0.38
PTGER3 P43115 2/20 0.38
PTGER2 P43116 2/20 0.38
POLB P06746 1/20 0.38
HTR1D P28221 1/20 0.38
HTR1B P28222 1/20 0.38
PTPN1 P18031 1/20 0.37
PTGER1 P34995 1/20 0.37
S1PR1 P21453 1/20 0.37
S1PR5 Q9H228 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL5879473 0.85 TDP1 (0.42) LMNAGAAMAOBTDP1L3MBTL1
SCHEMBL8976466 0.83 PTGER4 (0.51) LMNAGAAALDH1A1GLATDP1
SCHEMBL5521213 0.79 LMNA (0.45) LMNAGAAALDH1A1MAOBTDP1
SCHEMBL8732326 0.76 PTGER4 (0.42) LMNAMAOBTDP1L3MBTL1PTGER4
SCHEMBL8732315 0.76 PTGER4 (0.42) LMNAMAOBTDP1L3MBTL1PTGER4
SCHEMBL9353319 0.76 MAOB (0.35) ALDH1A1MAOBTDP1KDM1ATSHR
SCHEMBL10597879 0.75 LMNA (0.45) LMNAGAAMAOBTDP1L3MBTL1
SCHEMBL5879432 0.75 ACHE (0.38) ALDH1A1GLAMAPTMAPK1PTPN1
SCHEMBL10481838 0.74 MAPT (0.50) LMNAGAAALDH1A1MAOBTDP1
SCHEMBL7708537 0.74 TDP1 (0.57) LMNAGAAALDH1A1GLAMAOB

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-7141684-B2 Diepoxide derivatives of diallyl phenolics PEWS R GARTH 2006-11-28 US disclosed
US-20050090673-A1 Novel diepoxide derivatives of diallyl phenolics PEWS R G (US) 2005-04-28 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-20050090673-A1 Novel diepoxide derivatives of diallyl phenolics EBP, EED, ESR2 LMNA 3547/4885GAA 2926/4885ALDH1A1 194/4885

“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.