SCHEMBL21933249

SCHEMBL21933249

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

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.66
CYP3A4 P08684 3/20 0.56
ATM Q13315 1/20 0.56
MAPT P10636 4/20 0.50
ALDH1A1 P00352 4/20 0.50
CYP2D6 P10635 2/20 0.50
CYP2C19 P33261 2/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
HSD17B10 Q99714 2/20 0.50
HPGD P15428 2/20 0.50
MEN1 O00255 1/20 0.50
LMNA P02545 1/20 0.50
PKM P14618 1/20 0.50
ALOX12 P18054 1/20 0.50
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
KMT2A Q03164 1/20 0.50
RELA Q04206 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50

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
SCHEMBL19472000 0.82 CYP19A1 (0.78) CYP19A1CYP3A4ATMMAPTALDH1A1
SCHEMBL19500874 0.82 CYP19A1 (0.78) CYP19A1CYP3A4ATMMAPTALDH1A1
SCHEMBL21933260 0.80 CYP19A1 (1.00) CYP19A1CYP3A4ATMMAPTALDH1A1
SCHEMBL19092907 0.80 CYP19A1 (1.00) CYP19A1CYP3A4ATMMAPTALDH1A1
SCHEMBL3903052 0.78 CA12 (0.50) MAPTALDH1A1NPC1RAB9AHSD17B10
SCHEMBL19097992 0.77 DYRK1A (0.47) CYP19A1MAPTRAB9ASMN1; SMN2
SCHEMBL4152774 0.76 CHEK1 (0.59) CYP19A1CYP3A4ATMMAPTALDH1A1
SCHEMBL4447863 0.75 CYP19A1 (0.68) CYP19A1CYP3A4ATMMAPTALDH1A1
SCHEMBL16053108 0.75 NFE2L2 (0.60) CYP19A1CYP3A4ATMMAPTALDH1A1
SCHEMBL16053110 0.75 NFE2L2 (0.60) CYP19A1CYP3A4ATMMAPTALDH1A1

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 6 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 claimed
US-20200148662-A1 NOVEL STILBENE DERIVATIVE AND PREPARATION METHOD THEREOF BEIJING INSTITUTE OF TECHNOLOGY (CN) 2020-05-14 US claimed
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 CYP19A1 144/4885CYP3A4 1011/4885ATM 1371/4885
US-20200148662-A1 NOVEL STILBENE DERIVATIVE AND PREPARATION METHOD THEREOF STS, F12, STK38L CYP19A1 141/4885CYP3A4 1376/4885ATM 1255/4885

“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.