SCHEMBL5091992

SCHEMBL5091992

CC(C)(C)c1ccc(CCC=O)cc1.CC(C=O)Cc1ccc(C(C)(C)C)cc1

nearest known ligand 0.79

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.79
TSHR P16473 1/20 0.79
GRIA4 P48058 1/20 0.42
ACACB O00763 3/20 0.38
KCNH2 Q12809 1/20 0.37
COPS5 Q92905 1/20 0.37
GPR84 Q9NQS5 1/20 0.37
NR1H4 Q96RI1 2/20 0.36
EPHX2 P34913 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
SLC13A5 Q86YT5 2/20 0.35
ESRRG P62508 2/20 0.35
DAO P14920 1/20 0.35
EBP Q15125 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
EPHX1 P07099 1/20 0.35
ESRRB O95718 1/20 0.35

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
SCHEMBL9229618 0.93 TP53 (0.68) TP53TSHRGRIA4ACACBKCNH2
SCHEMBL13453994 0.89 TP53 (1.00) TP53TSHRGRIA4ACACBCOPS5
SCHEMBL81866 0.89 TP53 (1.00) TP53TSHRGRIA4ACACBCOPS5
SCHEMBL16880397 0.89 TP53 (1.00) TP53TSHRGRIA4ACACBCOPS5
Benzene SCHEMBL28938992 0.85 TP53 (0.93) TP53TSHRGRIA4ACACBCOPS5
SCHEMBL1864936 0.85 TP53 (0.52) TP53TSHRGRIA4KCNH2GPR84
SCHEMBL66122 0.85 TP53 (0.52) TP53TSHRGRIA4KCNH2GPR84
SCHEMBL4428387 0.84 TP53 (0.90) TP53TSHRGRIA4ACACBCOPS5
Methane SCHEMBL9798334 0.84 TP53 (0.50) TP53TSHRGRIA4KCNH2COPS5
SCHEMBL19894770 0.79 TP53 (0.69) TP53TSHRGRIA4KCNH2GPR84

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-20080269102-A1 3-(2-Alkoxycarbonyloxy-Phenyl) Acrylic Acid Esters And Their Use As Precursors For The Delivery Of Olfactory Compounds GIVAUDAN SA (CH) 2008-10-30 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-20080269102-A1 3-(2-Alkoxycarbonyloxy-Phenyl) Acrylic Acid Esters And Their Use As Precursors For The Delivery Of Olfactory Compounds OR10J3, OR51E2, TAS2R43 TP53 2970/4885TSHR 2535/4885GRIA4 435/4885

“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.