SCHEMBL21994191

SCHEMBL21994191

CN1CCC(C(=O)Nc2ccc(/C=C/c3ccc4c(c3)OCO4)cc2)CC1

nearest known ligand 0.74

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.60
NPC1 O15118 2/20 0.55
KDM4E B2RXH2 3/20 0.54
LMNA P02545 2/20 0.54
HPGD P15428 2/20 0.54
MAPT P10636 3/20 0.53
RAB9A P51151 1/20 0.53
KMT2A Q03164 3/20 0.52
ALDH1A1 P00352 2/20 0.52
MEN1 O00255 2/20 0.52
PKM P14618 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
NPSR1 Q6W5P4 1/20 0.51

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
SCHEMBL21933276 0.90 EPHX2 (0.65) EPHX2NPC1KDM4EMAPTRAB9A
SCHEMBL21994192 0.87 NPC1 (0.68) EPHX2NPC1KDM4EMAPTRAB9A
SCHEMBL21994189 0.87 NPC1 (0.72) EPHX2NPC1KDM4EMAPTRAB9A
SCHEMBL21933245 0.78 KDM4E (0.81) EPHX2NPC1KDM4EMAPTRAB9A
SCHEMBL18754209 0.77 PKM (0.56) LMNAMAPTKMT2AALDH1A1MEN1
SCHEMBL21994190 0.76 ALDH1A1 (0.61) EPHX2NPC1KDM4ELMNAHPGD
SCHEMBL19097940 0.76 EPHX2 (0.70) EPHX2NPC1KDM4ELMNAHPGD
SCHEMBL21933288 0.75 SMN1; SMN2 (0.74) EPHX2NPC1KDM4ELMNAHPGD
SCHEMBL5025132 0.75 NPC1 (0.86) NPC1KDM4ELMNAHPGDMAPT
SCHEMBL21933247 0.75 EPHX2 (0.69) EPHX2NPC1KDM4EMAPTRAB9A

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