SCHEMBL21994190

SCHEMBL21994190

O=C(Nc1ccc(/C=C/c2ccc3c(c2)OCO3)cc1)C1CCCO1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.61
LMNA P02545 1/20 0.61
TP53 P04637 1/20 0.61
MAPT P10636 1/20 0.61
EPHX2 P34913 2/20 0.58
POLB P06746 2/20 0.55
HPGD P15428 5/20 0.54
RAB9A P51151 2/20 0.53
KDM4E B2RXH2 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
CYP2C9 P11712 1/20 0.53
MAOB P27338 1/20 0.52
NPC1 O15118 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
SCHEMBL21994192 0.83 NPC1 (0.68) ALDH1A1MAPTEPHX2RAB9AKDM4E
SCHEMBL21994189 0.83 NPC1 (0.72) ALDH1A1MAPTEPHX2RAB9AKDM4E
SCHEMBL21933276 0.83 EPHX2 (0.65) ALDH1A1MAPTEPHX2RAB9AKDM4E
SCHEMBL21933245 0.76 KDM4E (0.81) ALDH1A1MAPTEPHX2RAB9AKDM4E
SCHEMBL21994191 0.76 EPHX2 (0.60) ALDH1A1LMNAMAPTEPHX2HPGD
SCHEMBL21933288 0.76 SMN1; SMN2 (0.74) ALDH1A1LMNATP53MAPTEPHX2
SCHEMBL872523 0.76 ALDH1A1 (0.57) ALDH1A1LMNATP53POLBHPGD
SCHEMBL21998497 0.74 EPHX2 (0.67) ALDH1A1TP53MAPTEPHX2HPGD
SCHEMBL19097940 0.74 EPHX2 (0.70) ALDH1A1LMNATP53MAPTEPHX2
SCHEMBL21933255 0.73 EPHX2 (0.69) ALDH1A1MAPTEPHX2POLBRAB9A

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 ALDH1A1 449/4885LMNA 1887/4885TP53 2507/4885
US-20200148662-A1 NOVEL STILBENE DERIVATIVE AND PREPARATION METHOD THEREOF STS, F12, STK38L ALDH1A1 415/4885LMNA 1896/4885TP53 2467/4885

“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.