SCHEMBL21998488

SCHEMBL21998488

Cc1ccc(/C=C/C(=O)Nc2ccc(/C=C/c3ccc4c(c3)OCO4)cc2)cc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.78
MAPT P10636 7/20 0.78
TRPV1 Q8NER1 3/20 0.74
ALDH1A1 P00352 10/20 0.73
SMN1; SMN2 Q16637 8/20 0.73
NPC1 O15118 7/20 0.73
RAB9A P51151 7/20 0.73
MEN1 O00255 4/20 0.73
KMT2A Q03164 4/20 0.73
HPGD P15428 5/20 0.67
CYP1A2 P05177 1/20 0.65
CYP3A4 P08684 1/20 0.65
CYP2C9 P11712 1/20 0.65
CYP2C19 P33261 1/20 0.65
EPHX2 P34913 1/20 0.65
PKM P14618 1/20 0.61
LMNA P02545 3/20 0.61
MAPK1 P28482 2/20 0.61
NFKB1 P19838 1/20 0.60
NFKB2 Q00653 1/20 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
SCHEMBL18027733 0.97 KDM4E (0.81) KDM4EMAPTTRPV1ALDH1A1SMN1; SMN2
SCHEMBL21998487 0.89 MAPT (0.76) KDM4EMAPTTRPV1ALDH1A1SMN1; SMN2
SCHEMBL21998490 0.88 TRPV1 (0.80) KDM4EMAPTTRPV1ALDH1A1SMN1; SMN2
SCHEMBL21996664 0.88 KDM4E (0.74) KDM4EMAPTTRPV1ALDH1A1SMN1; SMN2
SCHEMBL109258 0.87 MAPT (0.81) KDM4EMAPTTRPV1ALDH1A1SMN1; SMN2
SCHEMBL18993423 0.86 KDM4E (0.79) KDM4EMAPTTRPV1ALDH1A1SMN1; SMN2
SCHEMBL22510789 0.86 KDM4E (0.79) KDM4EMAPTTRPV1ALDH1A1SMN1; SMN2
SCHEMBL19092878 0.85 NPC1 (0.74) KDM4EMAPTALDH1A1SMN1; SMN2NPC1
SCHEMBL13675907 0.85 TRPV1 (1.00) MAPTTRPV1ALDH1A1SMN1; SMN2NPC1
SCHEMBL95349 0.85 KDM4E (0.77) KDM4EMAPTTRPV1ALDH1A1SMN1; SMN2

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

“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.