SCHEMBL6565897

SCHEMBL6565897

CCC(=O)OCCCC(C)C1CCCC1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NAAA Q02083 1/20 0.44
▸ EPHX2 P34913 1/20 0.37
▸ HTT P42858 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ NR1H4 Q96RI1 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ HRH3 Q9Y5N1 2/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ EPHX1 P07099 1/20 0.32

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
SCHEMBL22578931 0.80 NAAA (0.41) NAAAEPHX2HTTSMN1; SMN2TSHR
SCHEMBL9943520 0.79 NAAA (0.40) NAAAEPHX2HTTSMN1; SMN2TSHR
Phosphine SCHEMBL27538212 0.77 EPHX1 (0.36) TSHRNPSR1L3MBTL1EPHX1
SCHEMBL22592812 0.75 NAAA (0.38) NAAAEPHX2SMN1; SMN2TSHRNPSR1
SCHEMBL128491 0.75 NAAA (0.57) NAAAHTTNPSR1
SCHEMBL11218217 0.74 ALDH1A1 (0.43) TSHRMEN1KMT2AMAPTMAPK1
SCHEMBL2600809 0.74 NAAA (0.73) NAAAHTTTSHRNPSR1
SCHEMBL19497307 0.74 NAAA (0.45) NAAAEPHX2HTTMAPT
SCHEMBL27488748 0.73 EPHX2 (0.49) NAAAEPHX2TSHRKMT2AL3MBTL1
SCHEMBL6564298 0.73 L3MBTL1 (0.42) TSHRKMT2ANPSR1L3MBTL1

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
EP-1067118-B1 Cyclopentylalkyl-nitriles and the use of odoriferous cyclopentylalkyl derivatives as fragrances GIVAUDAN SA (CH) 2004-03-31 — — EP disclosed
US-6441052-B1 ALKANOL, ALDEHYDE, AND KETONE CYCLOPENTA DERIVATIVES; FRAGRANCES GIVAUDAN SA (CH) 2002-08-27 — — US disclosed
US-20020086901-A1 CYCLOPENTYLALKYL-NITRILES GIVAUDAN SA, A SWITZERLAND CORPORATION 2002-07-04 — — US disclosed
US-6410000-B1 PERFUME GIVAUDAN SA (CH) 2002-06-25 — — US disclosed
US-6399811-B1 ORGANOLEPTIC GIVAUDAN SA (CH) 2002-06-04 — — US disclosed
EP-1067118-A1 Cyclopentylalkyl-nitriles and the use of odoriferous cyclopentylalkyl derivatives as fragrances Givaudan SA (CH) 2001-01-10 — — EP 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-20020086901-A1 CYCLOPENTYLALKYL-NITRILES CCRL2, CBR1, CNR1 NAAA 3074/4885EPHX2 325/4885HTT 4057/4885

“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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