SCHEMBL6094048

SCHEMBL6094048

COc1cccc(OC)c1C=C(C=O)c1ccccc1-c1cccs1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.50
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
MAPT P10636 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
TUBA3C P0DPH7 1/20 0.40
TUBA1B P68363 1/20 0.40
TUBA4A P68366 1/20 0.40
TUBB4B P68371 1/20 0.40
TUBB3 Q13509 1/20 0.40
TUBB2A Q13885 1/20 0.40
TUBB8 Q3ZCM7 1/20 0.40
TUBA3E Q6PEY2 1/20 0.40

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
SCHEMBL6093472 0.84 ERN1 (0.52) ERN1RAB9ASMN1; SMN2NPC1MAPT
SCHEMBL6092122 0.84 HCRTR1 (0.39) ERN1RAB9ASMN1; SMN2NPC1KDM4E
SCHEMBL6092824 0.81 TNFRSF1A (0.51) ERN1RAB9ANPC1MEN1KMT2A
SCHEMBL9754595 0.79 ERN1 (0.67) ERN1RAB9ASMN1; SMN2NPC1MAPT
SCHEMBL6092784 0.73 ERN1 (0.50) ERN1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL6095256 0.72 TNFRSF1A (0.47) ERN1MEN1KMT2AKDM4EALDH1A1
SCHEMBL1284485 0.72 APP (0.62) ERN1RAB9ASMN1; SMN2NPC1MAPT
SCHEMBL6094051 0.72 MAPT (0.45) ERN1RAB9ASMN1; SMN2NPC1MAPT
SCHEMBL6093347 0.71 TNFRSF1A (0.46) ERN1MEN1KMT2AKDM4EALDH1A1
SCHEMBL6109682 0.70 ERN1 (0.41) ERN1RAB9ASMN1; SMN2NPC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060063828-A1 1,2-Bis-(substituted-phenyl)-2-propen-1-ones and pharmaceutical compositions thereof ATHEROGENICS, INC. 2006-03-23 US claimed
US-20060063828-A1 1,2-Bis-(substituted-phenyl)-2-propen-1-ones and pharmaceutical compositions thereof ATHEROGENICS, INC. 2006-03-23 US disclosed
WO-2006004903-A2 1,2-BIS-(SUBSTITUTED-PHENYL)-2-PROPEN-1-ONES AND PHARMACEUTICAL COMPOSITIONS THEREOF ATHEROGENICS, INC. (US) 2006-01-12 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-20060063828-A1 1,2-Bis-(substituted-phenyl)-2-propen-1-ones and pharmaceutical compositions thereof ABCB11, CEL, CYP46A1 ERN1 2367/4885RAB9A 2477/4885SMN1; SMN2 2250/4885

“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.