SCHEMBL21933263

SCHEMBL21933263

O=S(=O)(Nc1ccc(/C=C/c2ccc3c(c2)OCO3)cc1)C1CC1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.52
CYP19A1 P11511 1/20 0.51
ALDH1A1 P00352 2/20 0.50
LMNA P02545 1/20 0.50
POLB P06746 1/20 0.50
KDM4E B2RXH2 2/20 0.47
HPGD P15428 1/20 0.47
CYP3A4 P08684 1/20 0.47
ATM Q13315 1/20 0.47
MAOB P27338 2/20 0.46
HDAC6 Q9UBN7 1/20 0.46
KIF11 P52732 1/20 0.46
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
MAPT P10636 1/20 0.45
HSD17B10 Q99714 1/20 0.45
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL14358694 0.83 HDAC4 (0.49) HDAC4
SCHEMBL14358697 0.83 HDAC4 (0.49) HDAC4
SCHEMBL21998484 0.83 CYP19A1 (0.44) EPHX2CYP19A1ALDH1A1POLBKDM4E
SCHEMBL19097991 0.82 EPHX2 (0.59) EPHX2CYP19A1ALDH1A1LMNAPOLB
SCHEMBL21998486 0.80 HPGD (0.74) EPHX2CYP19A1ALDH1A1LMNAPOLB
SCHEMBL21933257 0.79 EPHX2 (0.55) EPHX2CYP19A1ALDH1A1LMNAPOLB
SCHEMBL19097995 0.78 HPGD (0.73) EPHX2CYP19A1ALDH1A1LMNAPOLB
SCHEMBL21933241 0.76 MAPT (0.65) ALDH1A1LMNAKDM4EHPGDCYP3A4
SCHEMBL21933266 0.76 LMNA (0.63) EPHX2ALDH1A1LMNAPOLBHPGD
SCHEMBL21933253 0.75 GAA (0.58) EPHX2CYP19A1ALDH1A1LMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10829466-B2 Stilbene derivative and preparation method thereof BEIJING INSTITUTE OF TECHNOLOGY (CN) 2020-11-10 US disclosed
US-10829466-B2 Stilbene derivative and preparation method thereof BEIJING INSTITUTE OF TECHNOLOGY (CN) 2020-11-10 US disclosed
US-20200148662-A1 NOVEL STILBENE DERIVATIVE AND PREPARATION METHOD THEREOF BEIJING INSTITUTE OF TECHNOLOGY (CN) 2020-05-14 US disclosed
US-20200148662-A1 NOVEL STILBENE DERIVATIVE AND PREPARATION METHOD THEREOF BEIJING INSTITUTE OF TECHNOLOGY (CN) 2020-05-14 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 (2 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-10829466-B2 Stilbene derivative and preparation method thereof STS, F12, GLB1 EPHX2 3414/4885CYP19A1 144/4885ALDH1A1 449/4885
US-20200148662-A1 NOVEL STILBENE DERIVATIVE AND PREPARATION METHOD THEREOF STS, F12, STK38L EPHX2 3354/4885CYP19A1 141/4885ALDH1A1 415/4885

“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.