SCHEMBL6567295

SCHEMBL6567295

CC1=C(CCCCCO)CCC1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.33
PGR P06401 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
MAOA P21397 1/20 0.33
TBXA2R P21731 1/20 0.33
MAPK1 P28482 1/20 0.33
AVPR2 P30518 1/20 0.33
CYP2C19 P33261 1/20 0.33
HTR2B P41595 1/20 0.33
HTT P42858 1/20 0.33
PDE3A Q14432 1/20 0.33
SIRT2 Q8IXJ6 1/20 0.33
SLC29A1 Q99808 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ALDH1A1 P00352 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MEN1 O00255 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
SCHEMBL1987501 0.94 CYP4F2 (0.31) LMNAPGRCYP3A4CYP2D6MAPT
SCHEMBL3945297 0.78 SCD (0.38) LMNACYP3A4CYP2D6MAPTCYP2C9
SCHEMBL25222090 0.77 HTT (0.39) LMNAPGRCYP3A4CYP2D6MAPT
SCHEMBL3388087 0.77 HTT (0.39) LMNAPGRCYP3A4CYP2D6MAPT
SCHEMBL3390275 0.77 HTT (0.39) LMNAPGRCYP3A4CYP2D6MAPT
SCHEMBL3390717 0.77 HTT (0.39) LMNAPGRCYP3A4CYP2D6MAPT
SCHEMBL3387155 0.77 HTT (0.39) LMNAPGRCYP3A4CYP2D6MAPT
SCHEMBL3389358 0.77 HTT (0.39) LMNAPGRCYP3A4CYP2D6MAPT
SCHEMBL3941727 0.76 RXRA (0.32) MAPK1HTT
SCHEMBL11147720 0.73

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 LMNA 2186/4885PGR 803/4885CYP3A4 255/4885

“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.