SCHEMBL6565906

SCHEMBL6565906

CC(C)(O)CCCC1=CCCC1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
ALOX15 P16050 2/20 0.37
PKM P14618 1/20 0.36
SMN1; SMN2 Q16637 6/20 0.35
LMNA P02545 2/20 0.34
RAB9A P51151 6/20 0.33
NPC1 O15118 4/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
HTT P42858 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
HPGD P15428 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
SCHEMBL111353 0.95 ALDH1A1 (0.47) ALDH1A1ALOX15PKMSMN1; SMN2LMNA
Formaldehyde SCHEMBL28262224 0.90 ALDH1A1 (0.47) ALDH1A1ALOX15PKMSMN1; SMN2LMNA
Pyrrole SCHEMBL28288914 0.87 ALDH1A1 (0.42) ALDH1A1ALOX15PKMSMN1; SMN2LMNA
SCHEMBL4992463 0.86 ALDH1A1 (0.39) ALDH1A1ALOX15PKMSMN1; SMN2LMNA
SCHEMBL4450400 0.79 ALDH1A1 (0.30) ALDH1A1
SCHEMBL17267390 0.78 ALDH1A1 (0.41) ALDH1A1ALOX15PKMSMN1; SMN2LMNA
SCHEMBL9176557 0.77 ALDH1A1 (0.42) ALDH1A1ALOX15PKMSMN1; SMN2RAB9A
SCHEMBL28290439 0.75 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2LMNARAB9ANPC1
SCHEMBL9755511 0.75 ALDH1A1 (0.41) ALDH1A1ALOX15PKMSMN1; SMN2RAB9A
SCHEMBL10948510 0.75 ALDH1A1 (0.49) ALDH1A1ALOX15SMN1; SMN2LMNARAB9A

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 ALDH1A1 479/4885ALOX15 1600/4885PKM 4151/4885

“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.