SCHEMBL21998484

SCHEMBL21998484

O=S(=O)(Nc1ccc(/C=C/c2ccc3c(c2)OCO3)cc1F)C1CC1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.44
MAOB P27338 2/20 0.43
CYP3A4 P08684 2/20 0.43
ATM Q13315 1/20 0.43
ALDH1A1 P00352 3/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 2/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
EPHX2 P34913 2/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
NPC1 O15118 1/20 0.41
MTOR P42345 1/20 0.41
RAB9A P51151 1/20 0.41
VCP P55072 1/20 0.41
POLB P06746 2/20 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
SCHEMBL21998481 0.86 CYP3A4 (0.49) CYP19A1CYP3A4ATMALDH1A1MAPT
SCHEMBL21933263 0.83 EPHX2 (0.52) CYP19A1MAOBCYP3A4ATMALDH1A1
SCHEMBL21998482 0.82 HPGD (0.56) CYP19A1CYP3A4ATMALDH1A1MAPT
SCHEMBL21998483 0.81 CYP3A4 (0.46) CYP19A1CYP3A4ATMALDH1A1MAPT
SCHEMBL21998729 0.80 HPGD (0.56) CYP19A1CYP3A4ALDH1A1MAPTCYP2D6
SCHEMBL21998494 0.76 NPC1 (0.55) MAOBCYP3A4ALDH1A1MAPTKDM4E
SCHEMBL21996658 0.74 NPC1 (0.56) MAOBCYP3A4ALDH1A1MAPTKDM4E
SCHEMBL21998496 0.74 NPC1 (0.53) MAOBCYP3A4ALDH1A1MAPTKDM4E
SCHEMBL21933265 0.74 MAPT (0.59) CYP3A4ATMALDH1A1MAPTKDM4E
SCHEMBL21994187 0.72 MEN1 (0.52) CYP3A4ALDH1A1MAPTKDM4ECYP2D6

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 CYP19A1 144/4885MAOB 274/4885CYP3A4 1011/4885
US-20200148662-A1 NOVEL STILBENE DERIVATIVE AND PREPARATION METHOD THEREOF STS, F12, STK38L CYP19A1 141/4885MAOB 399/4885CYP3A4 1376/4885

“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.