SCHEMBL6092134

SCHEMBL6092134

COC(=O)c1ccc(C(=O)Cc2cc(-c3cc4ccccc4s3)ccc2OC)cc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TNFRSF1A P19438 4/20 0.52
▸ HDAC6 Q9UBN7 2/20 0.44
▸ ERN1 O75460 2/20 0.44
▸ HIF1A Q16665 1/20 0.43
▸ NPC1 O15118 3/20 0.42
▸ RAB9A P51151 3/20 0.42
▸ MAPT P10636 2/20 0.42
▸ HDAC2 Q92769 1/20 0.41
▸ S1PR1 P21453 1/20 0.40
▸ APP P05067 1/20 0.40
▸ NAMPT P43490 1/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ CD274 Q9NZQ7 1/20 0.39
▸ SLC6A3 Q01959 1/20 0.39

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
SCHEMBL6091040 0.91 TNFRSF1A (0.53) TNFRSF1AHDAC6ERN1NPC1RAB9A
SCHEMBL732990 0.82 APP (0.58) TNFRSF1AHDAC6ERN1MAPTHDAC2
SCHEMBL6092548 0.81 KDM4E (0.50) TNFRSF1AHDAC6HIF1ANPC1RAB9A
SCHEMBL6092281 0.76 ALPL (0.50) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL6091620 0.75 TNFRSF1A (0.52) TNFRSF1AHDAC6NPC1RAB9AMAPT
SCHEMBL6091489 0.75 HDAC1 (0.43) ERN1HIF1ANPC1MAPTHDAC2
SCHEMBL6093398 0.73 TNFRSF1A (0.50) TNFRSF1AHDAC6ERN1NPC1RAB9A
SCHEMBL6091795 0.73 CYP19A1 (0.59) MEN1KMT2A
SCHEMBL10436312 0.73 TNFRSF1A (0.61) TNFRSF1AERN1NPC1RAB9AS1PR1
SCHEMBL6094331 0.72 KMT2A (0.49) HIF1ANPC1MAPTMEN1KMT2A

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 1 patent. 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

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 TNFRSF1A 4880/4885HDAC6 459/4885ERN1 2367/4885

“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.

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