SCHEMBL21998729

SCHEMBL21998729

O=S(=O)(Nc1ccc(/C=C/c2ccc3c(c2)OCO3)cc1F)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.56
POLB P06746 2/20 0.56
ALDH1A1 P00352 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
GFER P55789 1/20 0.46
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46
LMNA P02545 2/20 0.46
CYP19A1 P11511 1/20 0.43
GAA P10253 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43

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 0.83 CYP3A4 (0.49) POLBALDH1A1MAPTCYP19A1CYP3A4
SCHEMBL19097995 0.83 HPGD (0.73) HPGDPOLBALDH1A1MEN1KMT2A
SCHEMBL21998482 0.81 HPGD (0.56) HPGDPOLBALDH1A1SMN1; SMN2MAPT
SCHEMBL21998484 0.80 CYP19A1 (0.44) POLBALDH1A1MAPTCYP19A1CYP3A4
SCHEMBL21998483 0.80 CYP3A4 (0.46) POLBALDH1A1MAPTCYP19A1CYP3A4
SCHEMBL21994188 0.77 RAB9A (0.61) ALDH1A1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL8663411 0.75 HPGD (0.57) HPGDPOLBALDH1A1MEN1KMT2A
SCHEMBL21998492 0.75 SMN1; SMN2 (0.62) HPGDPOLBALDH1A1MEN1KMT2A
SCHEMBL21933265 0.73 MAPT (0.59) ALDH1A1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL9968015 0.73 HPGD (1.00) HPGDPOLBALDH1A1MEN1KMT2A

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 HPGD 2632/4885POLB 1551/4885ALDH1A1 449/4885
US-20200148662-A1 NOVEL STILBENE DERIVATIVE AND PREPARATION METHOD THEREOF STS, F12, STK38L HPGD 3123/4885POLB 2242/4885ALDH1A1 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.