SCHEMBL4399647

SCHEMBL4399647

CCCC=CC1C(=O)CCC1CC(=O)OC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C4 P17516 1/20 0.38
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 1/20 0.38
BRD4 O60885 1/20 0.35
PTGER2 P43116 2/20 0.34
PTGER4 P35408 1/20 0.34
PTGER3 P43115 1/20 0.34
MAPT P10636 2/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
PGR P06401 1/20 0.32
POLB P06746 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ABCC4 O15439 1/20 0.32
ABCB11 O95342 1/20 0.32
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C19 P33261 1/20 0.31
HTT P42858 1/20 0.31
ALOX5 P09917 1/20 0.31

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
SCHEMBL28790649 1.00 AKR1C4 (0.38) AKR1C4AKR1C3AKR1C2BRD4PTGER2
SCHEMBL4399644 1.00 AKR1C4 (0.38) AKR1C4AKR1C3AKR1C2BRD4PTGER2
SCHEMBL4399643 1.00 AKR1C4 (0.38) AKR1C4AKR1C3AKR1C2BRD4PTGER2
SCHEMBL20303552 0.84 AKR1C4 (0.54) AKR1C4AKR1C3AKR1C2PTGER2PTGER4
SCHEMBL5598068 0.84 AKR1C4 (0.54) AKR1C4AKR1C3AKR1C2PTGER2PTGER4
SCHEMBL11840607 0.84 AKR1C4 (0.40) AKR1C4AKR1C3AKR1C2MAPTTP53
SCHEMBL5598064 0.84 AKR1C4 (0.54) AKR1C4AKR1C3AKR1C2PTGER2PTGER4
SCHEMBL5383512 0.84 AKR1C4 (0.54) AKR1C4AKR1C3AKR1C2PTGER2PTGER4
SCHEMBL11756935 0.81 AKR1C4 (0.58) AKR1C4AKR1C3AKR1C2BRD4PTGER2
SCHEMBL11756928 0.81 AKR1C4 (0.58) AKR1C4AKR1C3AKR1C2BRD4PTGER2

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
US-8609600-B2 Encapsulation of bulky fragrance molecules TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-12-17 US disclosed
EP-1146033-B1 Fragrance precursors GIVAUDAN SA (CH) 2009-12-23 EP disclosed
US-20080176780-A1 ENCAPSULATION OF BULKY FRAGRANCE MOLECULES TAKASAGO INTERNATIONAL CORPORATION (JP) 2008-07-24 US disclosed
US-6492563-B2 PROVIDES NON-VOLATILE PRECURSORS FOR VOLATILE FRAGRANT ESTERS FOR USE IN DETERGENT, A FABRIC SOFTENER, A WINDOW CLEANER, A HARD SURFACE CLEANER, AN ALL PURPOSE CLEANER, A FURNITURE POLISH, A SHAMPOO, A CONDITIONER, AN HAIRSPRAY, A COSMETIC GIVAUDAN SA (CH) 2002-12-10 US disclosed
US-20020077508-A1 Fragrance precursors GIVAUDAN SA (CH) 2002-06-20 US disclosed
EP-1146033-A2 Fragrance precursors Givaudan SA (CH) 2001-10-17 EP disclosed
US-4100184-A Process for producing 3-cyanomethyl cyclopentanone derivatives SAGAMI CHEMICAL RESEARCH CENTER (JP) 1978-07-11 US disclosed
US-3953377-A Ethyl-2-trans-4-cis undecadienoate, ethyl-2-trans-4-cis dodecadienoate and ethyl-2-decadienoate perfume compositions FIRMENICH S.A. (CH) 1976-04-27 US 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-20020077508-A1 Fragrance precursors ADH5, FAAH, CBR3 AKR1C4 9/4885AKR1C3 5/4885AKR1C2 10/4885

“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.