SCHEMBL5652892

SCHEMBL5652892

COC(=O)c1ccc(CN(C)c2ccc(CO)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.55
HPGD P15428 2/20 0.55
KDM4E B2RXH2 2/20 0.55
ALDH1A1 P00352 2/20 0.55
NPC1 O15118 1/20 0.55
GAA P10253 1/20 0.55
TSHR P16473 1/20 0.55
MAPK1 P28482 1/20 0.55
HSD17B10 Q99714 1/20 0.55
CYP4A11 Q02928 2/20 0.50
LOXL2 Q9Y4K0 1/20 0.50
CYP4F2 P78329 1/20 0.49
NOTUM Q6P988 1/20 0.47
RAB9A P51151 2/20 0.46
MAPT P10636 3/20 0.45
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
NCOR2 Q9Y618 1/20 0.44
HSP90AA1 P07900 1/20 0.43

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
SCHEMBL16420939 0.87 KDM4E (0.54) SMN1; SMN2HPGDKDM4EALDH1A1NPC1
SCHEMBL26023443 0.86 CA1 (0.55) SMN1; SMN2HPGDKDM4EALDH1A1NPC1
SCHEMBL3607026 0.86 HDAC3 (0.58) SMN1; SMN2HPGDKDM4EALDH1A1NPC1
SCHEMBL28631592 0.83 LOXL2 (0.68) SMN1; SMN2HPGDKDM4EALDH1A1NPC1
SCHEMBL63426 0.83 LOXL2 (0.68) SMN1; SMN2HPGDKDM4EALDH1A1NPC1
SCHEMBL15997457 0.82 CRHBP (0.62) SMN1; SMN2HPGDKDM4EALDH1A1NPC1
SCHEMBL28529337 0.82 LOXL2 (0.66) SMN1; SMN2HPGDKDM4EALDH1A1NPC1
SCHEMBL28533242 0.82 LOXL2 (0.66) SMN1; SMN2HPGDKDM4EALDH1A1NPC1
SCHEMBL5893077 0.79 LOXL2 (0.61) SMN1; SMN2HPGDTSHRCYP4A11LOXL2
SCHEMBL481297 0.79 LOXL2 (0.61) SMN1; SMN2HPGDKDM4EALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060257917-A1 FLUORESCENT DYES, ENERGY TRANSFER COUPLES AND METHODS MILLIPORE CORPORATION 2006-11-16 US disclosed
US-7091348-B2 Fluorescent dyes, energy transfer couples and methods GUAVA TECHNOLOGIES, INC. (US) 2006-08-15 US disclosed
EP-1539728-A2 FLUORESCENT DYES, ENERGY TRANSFER COUPLES AND METHODS Guava Technologies, Inc. (US) 2005-06-15 EP disclosed
US-20040073014-A1 Fluorescent dyes, energy transfer couples and methods EMD MILLIPORE CORPORATION 2004-04-15 US disclosed
WO-2004003510-A2 FLUORESCENT DYES, ENERGY TRANSFER COUPLES AND METHODS GUAVA TECHNOLOGIES, INC. (US) 2004-01-08 WO 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-20060257917-A1 FLUORESCENT DYES, ENERGY TRANSFER COUPLES AND METHODS TIMM50, TIMM44, APEX1 SMN1; SMN2 4268/4885HPGD 1380/4885KDM4E 2901/4885

“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.