SCHEMBL21998502

SCHEMBL21998502

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

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.49
RAB9A P51151 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
MEN1 O00255 2/20 0.49
NPC1 O15118 2/20 0.49
KMT2A Q03164 2/20 0.49
EPHX2 P34913 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
KDM4E B2RXH2 6/20 0.48
HPGD P15428 1/20 0.48
ALDH1A1 P00352 3/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
MAOB P27338 2/20 0.46
CYP1A2 P05177 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TRPV1 Q8NER1 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 0.85 MAPT (0.59) MAPTRAB9ASMN1; SMN2MEN1NPC1
SCHEMBL21998492 0.84 SMN1; SMN2 (0.62) MAPTRAB9ASMN1; SMN2MEN1NPC1
SCHEMBL21994187 0.83 MEN1 (0.52) MAPTRAB9AMEN1NPC1KMT2A
SCHEMBL21998497 0.82 EPHX2 (0.67) MAPTRAB9ASMN1; SMN2MEN1NPC1
SCHEMBL21998480 0.82 EPHX2 (0.70) MAPTRAB9ASMN1; SMN2MEN1NPC1
SCHEMBL21998494 0.82 NPC1 (0.55) MAPTRAB9ASMN1; SMN2MEN1NPC1
SCHEMBL21994188 0.81 RAB9A (0.61) MAPTRAB9ASMN1; SMN2MEN1NPC1
SCHEMBL21996658 0.80 NPC1 (0.56) MAPTRAB9AMEN1NPC1KMT2A
SCHEMBL21998496 0.80 NPC1 (0.53) MAPTRAB9AMEN1NPC1KMT2A
SCHEMBL21998495 0.78 NPC1 (0.62) MAPTRAB9ASMN1; SMN2MEN1NPC1

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 MAPT 3955/4885RAB9A 3348/4885SMN1; SMN2 3805/4885
US-20200148662-A1 NOVEL STILBENE DERIVATIVE AND PREPARATION METHOD THEREOF STS, F12, STK38L MAPT 3976/4885RAB9A 2916/4885SMN1; SMN2 3934/4885

“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.