SCHEMBL21994192

SCHEMBL21994192

O=C(Nc1ccc(/C=C/c2ccc3c(c2)OCO3)cc1)C1CCC1

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.68
EPHX2 P34913 2/20 0.62
KDM4E B2RXH2 4/20 0.62
MAPT P10636 2/20 0.55
RAB9A P51151 2/20 0.54
MAOB P27338 2/20 0.53
TRPM8 Q7Z2W7 1/20 0.52
TRPV1 Q8NER1 1/20 0.52
MEN1 O00255 1/20 0.52
ALDH1A1 P00352 1/20 0.52
KMT2A Q03164 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
RXFP1 Q9HBX9 1/20 0.52
HDAC6 Q9UBN7 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
SCHEMBL21994189 0.97 NPC1 (0.72) NPC1EPHX2KDM4EMAPTRAB9A
SCHEMBL21933276 0.95 EPHX2 (0.65) NPC1EPHX2KDM4EMAPTRAB9A
SCHEMBL21994191 0.87 EPHX2 (0.60) NPC1EPHX2KDM4EMAPTRAB9A
SCHEMBL21998496 0.83 NPC1 (0.53) NPC1EPHX2KDM4EMAPTRAB9A
SCHEMBL21994190 0.83 ALDH1A1 (0.61) NPC1EPHX2KDM4EMAPTRAB9A
SCHEMBL21996658 0.81 NPC1 (0.56) NPC1EPHX2KDM4EMAPTRAB9A
SCHEMBL21933245 0.80 KDM4E (0.81) NPC1EPHX2KDM4EMAPTRAB9A
SCHEMBL5025132 0.80 NPC1 (0.86) NPC1KDM4EMAPTRAB9AMEN1
SCHEMBL21998497 0.78 EPHX2 (0.67) NPC1EPHX2KDM4EMAPTRAB9A
SCHEMBL19097940 0.78 EPHX2 (0.70) NPC1EPHX2KDM4EMAPTRAB9A

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 NPC1 1617/4885EPHX2 3414/4885KDM4E 4389/4885
US-20200148662-A1 NOVEL STILBENE DERIVATIVE AND PREPARATION METHOD THEREOF STS, F12, STK38L NPC1 1139/4885EPHX2 3354/4885KDM4E 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.