SCHEMBL44672

SCHEMBL44672

C=CCc1cccc(CC=C)c1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.48
GABRB2 P47870 2/20 0.48
CYP3A4 P08684 3/20 0.46
ALOX15 P16050 2/20 0.46
ALDH1A1 P00352 6/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
TP53 P04637 1/20 0.45
TSHR P16473 1/20 0.45
ALOX12 P18054 1/20 0.45
ADRA2A P08913 1/20 0.44
ADRA2B P18089 1/20 0.44
ADRA2C P18825 1/20 0.44
PPARG P37231 1/20 0.41
PPARD Q03181 1/20 0.41
PPARA Q07869 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ELANE P08246 1/20 0.40
MEN1 O00255 1/20 0.40

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
SCHEMBL13256543 0.91 GABRA1 (0.42) GABRA1GABRB2CYP3A4ALOX15ALDH1A1
SCHEMBL30681592 0.88 ALDH1A1 (0.52) CYP3A4ALOX15ALDH1A1SMN1; SMN2TSHR
SCHEMBL3460333 0.88 ALDH1A1 (0.52) CYP3A4ALOX15ALDH1A1SMN1; SMN2TSHR
SCHEMBL18657307 0.87 ADRA2A (0.43) GABRA1GABRB2CYP3A4ALOX15ALDH1A1
SCHEMBL11145612 0.87 GABRA1 (0.42) GABRA1GABRB2CYP3A4ALOX15ALDH1A1
SCHEMBL23020587 0.87 CYP3A4 (0.44) GABRA1GABRB2CYP3A4ALOX15ALDH1A1
SCHEMBL3739900 0.87 GABRA1 (0.50) GABRA1GABRB2CYP3A4ALOX15ALDH1A1
SCHEMBL7263878 0.87 ALDH1A1 (0.45) GABRA1GABRB2CYP3A4ALOX15ALDH1A1
SCHEMBL10071057 0.85 CYP3A4 (0.43) GABRA1GABRB2CYP3A4ALOX15ALDH1A1
SCHEMBL31130510 0.84 CA1 (0.53) GABRA1GABRB2CYP3A4ALOX15ALDH1A1

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
US-9637563-B2 Surfactant composition DAI-ICHI KOGYO SEIYAKU CO., LTD. (JP) 2017-05-02 US disclosed
US-20160137755-A1 SURFACTANT COMPOSITION DAI-ICHI KOGYO SEIYAKU CO., LTD. (JP) 2016-05-19 US disclosed
WO-2012005694-A1 DIHYDROINDENES AND RELATED COMPOUNDS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2012-01-12 WO disclosed
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 GABRA1 1655/4885GABRB2 1259/4885CYP3A4 251/4885

“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.