SCHEMBL21998480

SCHEMBL21998480

CN(C)C(=O)Nc1ccc(/C=C/c2ccc3c(c2)OCO3)cc1F

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.70
HTT P42858 1/20 0.52
KDM4E B2RXH2 4/20 0.50
ALDH1A1 P00352 4/20 0.50
RAB9A P51151 3/20 0.48
NPC1 O15118 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
MAPT P10636 5/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
TRPM8 Q7Z2W7 1/20 0.47
HPGD P15428 1/20 0.47
ATM Q13315 1/20 0.46

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
SCHEMBL21933265 0.86 MAPT (0.59) EPHX2KDM4EALDH1A1RAB9ANPC1
SCHEMBL21994187 0.84 MEN1 (0.52) EPHX2KDM4EALDH1A1RAB9ANPC1
SCHEMBL21933291 0.83 EPHX2 (1.00) EPHX2KDM4EALDH1A1RAB9ANPC1
SCHEMBL21998502 0.82 MAPT (0.49) EPHX2KDM4EALDH1A1RAB9ANPC1
SCHEMBL21998494 0.81 NPC1 (0.55) EPHX2KDM4EALDH1A1RAB9ANPC1
SCHEMBL21994188 0.80 RAB9A (0.61) HTTKDM4EALDH1A1RAB9ANPC1
SCHEMBL21998482 0.80 HPGD (0.56) EPHX2KDM4EALDH1A1RAB9ANPC1
SCHEMBL21996658 0.79 NPC1 (0.56) EPHX2KDM4EALDH1A1RAB9ANPC1
SCHEMBL21998496 0.79 NPC1 (0.53) EPHX2KDM4EALDH1A1RAB9ANPC1
SCHEMBL21998492 0.78 SMN1; SMN2 (0.62) HTTKDM4EALDH1A1RAB9ANPC1

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-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

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 3414/4885HTT 1618/4885KDM4E 4389/4885
US-20200148662-A1 NOVEL STILBENE DERIVATIVE AND PREPARATION METHOD THEREOF STS, F12, STK38L EPHX2 3354/4885HTT 2488/4885KDM4E 4442/4885

“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.