SCHEMBL2604940

SCHEMBL2604940

C(=C/c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)\c1ccncc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.58
ALDH1A1 P00352 3/20 0.58
THRB P10828 1/20 0.58
KDM4E B2RXH2 2/20 0.55
MAPT P10636 1/20 0.53
HPGD P15428 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
LCK P06239 1/20 0.51
POLB P06746 1/20 0.51
UBE2N P61088 1/20 0.51
KMT2A Q03164 1/20 0.51
APP P05067 4/20 0.49
USP2 O75604 1/20 0.49
TSHR P16473 1/20 0.49
HSD17B10 Q99714 1/20 0.49
GSK3B P49841 1/20 0.49
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48

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
SCHEMBL19649051 0.92 HPGD (0.67) LMNAALDH1A1KDM4EMAPTHPGD
SCHEMBL2604928 0.89 LCK (0.62) LMNAALDH1A1THRBKDM4EHPGD
SCHEMBL4447847 0.83 LMNA (0.59) LMNAALDH1A1THRBKDM4EHPGD
SCHEMBL28600024 0.81 AKT1 (0.46) LMNAALDH1A1THRBKDM4EMAPT
SCHEMBL28600026 0.81 AKT1 (0.46) LMNAALDH1A1THRBKDM4EMAPT
SCHEMBL11162005 0.81 LMNA (0.56) LMNAALDH1A1THRBKDM4EHPGD
SCHEMBL11162008 0.81 LMNA (0.56) LMNAALDH1A1THRBKDM4EHPGD
SCHEMBL2092146 0.80 LMNA (0.59) LMNAALDH1A1THRBKDM4EHPGD
SCHEMBL2092149 0.80 LMNA (0.59) LMNAALDH1A1THRBKDM4EHPGD
SCHEMBL19734612 0.80 APP (0.70) ALDH1A1KDM4EHPGDSMN1; SMN2KMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8158380-B2 Imaging agents for protein misfolding NEW YORK UNIVERSITY (US) 2012-04-17 US disclosed
US-8158380-B2 Imaging agents for protein misfolding NEW YORK UNIVERSITY (US) 2012-04-17 US disclosed
US-20100279340-A1 Imaging agents for protein misfolding NYU (US) 2010-11-04 US disclosed
US-20100279340-A1 Imaging agents for protein misfolding NYU (US) 2010-11-04 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 (1 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-20100279340-A1 Imaging agents for protein misfolding APBA1, APP, SPG11 LMNA 1999/4885ALDH1A1 3495/4885THRB 3669/4885

“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.