SCHEMBL21998490

SCHEMBL21998490

O=C(/C=C/c1ccc(Cl)cc1)Nc1ccc(/C=C/c2ccc3c(c2)OCO3)cc1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 3/20 0.80
KDM4E B2RXH2 8/20 0.74
MAPT P10636 4/20 0.74
SMN1; SMN2 Q16637 5/20 0.69
NPC1 O15118 5/20 0.69
RAB9A P51151 5/20 0.69
ALDH1A1 P00352 4/20 0.69
MEN1 O00255 3/20 0.69
KMT2A Q03164 3/20 0.69
LMNA P02545 2/20 0.67
CYP1A2 P05177 1/20 0.61
CYP3A4 P08684 1/20 0.61
CYP2C9 P11712 1/20 0.61
HPGD P15428 1/20 0.61
CYP2C19 P33261 1/20 0.61
PKM P14618 1/20 0.61
EPHX2 P34913 1/20 0.61
MAOA P21397 1/20 0.60
MAOB P27338 1/20 0.60
MMP1 P03956 3/20 0.60

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
SCHEMBL21998487 0.89 MAPT (0.76) TRPV1KDM4EMAPTSMN1; SMN2NPC1
SCHEMBL21996664 0.88 KDM4E (0.74) TRPV1KDM4EMAPTSMN1; SMN2NPC1
SCHEMBL21998488 0.88 KDM4E (0.78) TRPV1KDM4EMAPTSMN1; SMN2NPC1
SCHEMBL109258 0.87 MAPT (0.81) TRPV1KDM4EMAPTSMN1; SMN2NPC1
SCHEMBL18993423 0.86 KDM4E (0.79) TRPV1KDM4EMAPTSMN1; SMN2NPC1
SCHEMBL22510789 0.86 KDM4E (0.79) TRPV1KDM4EMAPTSMN1; SMN2NPC1
SCHEMBL18027733 0.85 KDM4E (0.81) TRPV1KDM4EMAPTSMN1; SMN2NPC1
SCHEMBL95348 0.85 KDM4E (0.77) TRPV1KDM4EMAPTSMN1; SMN2NPC1
SCHEMBL95349 0.85 KDM4E (0.77) TRPV1KDM4EMAPTSMN1; SMN2NPC1
SCHEMBL13675902 0.85 TRPV1 (1.00) TRPV1MAPTSMN1; SMN2NPC1RAB9A

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 TRPV1 3836/4885KDM4E 4389/4885MAPT 3955/4885
US-20200148662-A1 NOVEL STILBENE DERIVATIVE AND PREPARATION METHOD THEREOF STS, F12, STK38L TRPV1 3360/4885KDM4E 4442/4885MAPT 3976/4885

“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.