SCHEMBL6091872

SCHEMBL6091872

COC(=O)c1ccc(CC(=O)c2c(C)cccc2Cl)c(Br)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HB P07237 1/20 0.48
NOTUM Q6P988 1/20 0.41
MAPT P10636 5/20 0.39
ALDH1A1 P00352 4/20 0.39
LMNA P02545 2/20 0.39
ABL1 P00519 1/20 0.39
SRC P12931 1/20 0.39
TP53 P04637 1/20 0.38
LCK P06239 1/20 0.38
RAB9A P51151 4/20 0.38
NPC1 O15118 3/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL6092914 0.91 P4HB (0.53) P4HBNOTUMMAPTALDH1A1LMNA
SCHEMBL6092099 0.81 P4HB (0.48) P4HBNOTUMMAPTALDH1A1LMNA
SCHEMBL6093104 0.81 MAPT (0.43) MAPTALDH1A1TP53RAB9ANPC1
SCHEMBL17385782 0.75 NOTUM (0.53) P4HBNOTUMMAPTALDH1A1LMNA
SCHEMBL19464213 0.73 MAPT (0.44) NOTUMMAPTALDH1A1LMNATP53
SCHEMBL3577577 0.73 NOTUM (0.57) P4HBNOTUMMAPTALDH1A1LMNA
SCHEMBL485070 0.73 CA12 (0.53) ALDH1A1LMNAABL1SRCKMT2A
SCHEMBL27594634 0.72 NOTUM (0.53) P4HBNOTUMMAPTALDH1A1LMNA
SCHEMBL1040017 0.72 NOTUM (0.55) P4HBNOTUMMAPTALDH1A1LMNA
SCHEMBL30848162 0.72 P4HB (0.66) P4HBNOTUMMAPTALDH1A1LMNA

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-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 P4HB 874/4885NOTUM 543/4885MAPT 1784/4885

“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.