SCHEMBL21933247

SCHEMBL21933247

CC(C)(C)C(=O)Nc1ccc(/C=C/c2ccc3c(c2)OCO3)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.69
KDM4E B2RXH2 4/20 0.60
MAPT P10636 2/20 0.60
ALDH1A1 P00352 2/20 0.57
TRPV1 Q8NER1 2/20 0.57
MEN1 O00255 1/20 0.57
NPC1 O15118 1/20 0.57
RAB9A P51151 1/20 0.57
KMT2A Q03164 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
HDAC4 P56524 1/20 0.54
HDAC1 Q13547 1/20 0.54
HDAC6 Q9UBN7 1/20 0.52
CYP19A1 P11511 1/20 0.51
PGR P06401 1/20 0.51
AR P10275 1/20 0.51
GABRA1 P14867 1/20 0.51
MAOA P21397 1/20 0.51
SLC6A2 P23975 1/20 0.51
PDE4A P27815 1/20 0.51

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
SCHEMBL21933245 0.85 KDM4E (0.81) EPHX2KDM4EMAPTALDH1A1TRPV1
SCHEMBL1131119 0.84 SMN1; SMN2 (0.68) KDM4EMAPTALDH1A1MEN1NPC1
SCHEMBL21933267 0.84 EPHX2 (0.65) EPHX2KDM4EMAPTALDH1A1TRPV1
SCHEMBL19097940 0.83 EPHX2 (0.70) EPHX2KDM4EMAPTALDH1A1TRPV1
SCHEMBL21933255 0.82 EPHX2 (0.69) EPHX2KDM4EMAPTALDH1A1TRPV1
SCHEMBL21933291 0.82 EPHX2 (1.00) EPHX2KDM4EMAPTALDH1A1TRPV1
SCHEMBL21998489 0.81 SMN1; SMN2 (0.76) EPHX2KDM4EMAPTALDH1A1TRPV1
SCHEMBL21998497 0.80 EPHX2 (0.67) EPHX2KDM4EMAPTALDH1A1TRPV1
SCHEMBL21933261 0.80 EPHX2 (0.66) EPHX2KDM4EMAPTALDH1A1MEN1
SCHEMBL21933276 0.79 EPHX2 (0.65) EPHX2KDM4EMAPTALDH1A1TRPV1

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 3414/4885KDM4E 4389/4885MAPT 3955/4885
US-20200148662-A1 NOVEL STILBENE DERIVATIVE AND PREPARATION METHOD THEREOF STS, F12, STK38L EPHX2 3354/4885KDM4E 4442/4885MAPT 3976/4885

“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.