SCHEMBL3145754

SCHEMBL3145754

CCCCCC(=CC1CCCCC1)C(C)=O

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 3/20 0.45
GRIK1 P39086 2/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
EPHX1 P07099 8/20 0.37
GRIK2 Q13002 1/20 0.37
EPHX2 P34913 1/20 0.36
GNAI3 P08754 1/20 0.36
GNAO1 P09471 1/20 0.36
GNAI1 P63096 1/20 0.36
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36

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
SCHEMBL3145743 1.00 NAAA (0.45) NAAAGRIK1MEN1KMT2ATDP1
SCHEMBL3142234 0.98 NAAA (0.44) NAAAGRIK1MEN1KMT2ATDP1
SCHEMBL3151237 0.98 NAAA (0.44) NAAAGRIK1MEN1KMT2ATDP1
SCHEMBL3142242 0.98 NAAA (0.44) NAAAGRIK1MEN1KMT2ATDP1
SCHEMBL3147556 0.95 NAAA (0.40) NAAAMEN1KMT2ATDP1L3MBTL1
SCHEMBL3147564 0.95 NAAA (0.40) NAAAMEN1KMT2ATDP1L3MBTL1
SCHEMBL3151766 0.91 CES1 (0.40) NAAAMEN1KMT2ATDP1GNAI3
SCHEMBL2946002 0.91 CES1 (0.40) NAAAMEN1KMT2ATDP1GNAI3
SCHEMBL2946005 0.91 CES1 (0.40) NAAAMEN1KMT2ATDP1GNAI3
SCHEMBL2948929 0.90 CES2 (0.42) NAAAMEN1KMT2ATDP1GNAI3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100111888-A1 Organic Compounds and Compositions Having the Ability to Modulate Fragrance Compositions GIVAUDAN SA (CH) 2010-05-06 US claimed
EP-2152658-A2 ORGANIC COMPOUNDS AND COMPOSITIONS HAVING THE ABILITY TO MODULATE FRAGRANCE COMPOSITIONS Givaudan SA (CH) 2010-02-17 EP claimed
WO-2008116338-A2 ORGANIC COMPOUNDS AND COMPOSITIONS HAVING THE ABILITY TO MODULATE FRAGRANCE COMPOSITIONS GIVAUDAN SA (CH) 2008-10-02 WO claimed
US-20100111888-A1 Organic Compounds and Compositions Having the Ability to Modulate Fragrance Compositions GIVAUDAN SA (CH) 2010-05-06 US disclosed
EP-2152658-A2 ORGANIC COMPOUNDS AND COMPOSITIONS HAVING THE ABILITY TO MODULATE FRAGRANCE COMPOSITIONS Givaudan SA (CH) 2010-02-17 EP disclosed
WO-2008116338-A2 ORGANIC COMPOUNDS AND COMPOSITIONS HAVING THE ABILITY TO MODULATE FRAGRANCE COMPOSITIONS GIVAUDAN SA (CH) 2008-10-02 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-20100111888-A1 Organic Compounds and Compositions Having the Ability to Modulate Fragrance Compositions CYP2A13, CYP1A1, CYP1B1 NAAA 662/4885GRIK1 3456/4885MEN1 4587/4885

“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.