Sugi Predict

Sugi Predict / Compounds / SCHEMBL6566358

SCHEMBL6566358

SCHEMBL6566358

CC(CCC(=O)O)C1CCCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRP O00591 2/20 0.45
▸ GABRD O14764 2/20 0.45
▸ GABRA1 P14867 2/20 0.45
▸ GABRB1 P18505 2/20 0.45
▸ GABRG2 P18507 2/20 0.45
▸ GABRB3 P28472 2/20 0.45
▸ GABRA5 P31644 2/20 0.45
▸ GABRA3 P34903 2/20 0.45
▸ GABRA2 P47869 2/20 0.45
▸ GABRB2 P47870 2/20 0.45
▸ GABRA4 P48169 2/20 0.45
▸ GABRE P78334 2/20 0.45
▸ GABRA6 Q16445 2/20 0.45
▸ GABRG1 Q8N1C3 2/20 0.45
▸ GABRG3 Q99928 2/20 0.45
▸ GABRQ Q9UN88 2/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ ACE P12821 2/20 0.44
▸ REN P00797 1/20 0.44

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
SCHEMBL1226217 0.98 ALDH1A1 (0.44) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL5967361 0.91 GABRP (0.48) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL4362453 0.88 ALDH1A1 (0.43) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL2180615 0.86 ALDH1A1 (0.46) CYP1A2MAPTACERENLMNA
SCHEMBL4368678 0.84 CDC25A (0.40) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6567540 0.83 ALDH1A1 (0.36) KMT2AALDH1A1NR1H4
SCHEMBL27160173 0.82 EPHX1 (0.39) MEN1KMT2AALDH1A1
SCHEMBL27508607 0.82 CPN1 (0.44) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL27620537 0.82 GABRP (0.43) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL13817698 0.80 EPHX1 (0.35) MAPTKMT2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1147467-C Cyclopentyl alkyl cyanide ���ֵ���³����ʹ�˾ 2004-04-28 — — CN disclosed
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
CN-1290691-A Cyclopentyl alkyl cyanide GIVAUDAN ROURE INTERNAT SA (CH) 2001-04-11 — — CN 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 GABRP 2791/4885GABRD 3857/4885GABRA1 2430/4885

“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.