SCHEMBL1776386

SCHEMBL1776386

O=C1CCCCCCCCCC2CC2CCCC1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRIM24 O15164 2/20 0.58
TRIM33 Q9UPN9 2/20 0.58
ALDH1A1 P00352 2/20 0.58
KMT2A Q03164 2/20 0.41
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA4 P22748 1/20 0.37
MAPT P10636 1/20 0.35
ESR2 Q92731 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31
CYP2D6 P10635 3/20 0.30
MEN1 O00255 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL1539170 1.00 TRIM24 (0.58) TRIM24TRIM33ALDH1A1KMT2ACA1
SCHEMBL1539162 1.00 TRIM24 (0.58) TRIM24TRIM33ALDH1A1KMT2ACA1
SCHEMBL12512841 1.00 TRIM24 (0.58) TRIM24TRIM33ALDH1A1KMT2ACA1
SCHEMBL1539235 1.00 TRIM24 (0.58) TRIM24TRIM33ALDH1A1KMT2ACA1
SCHEMBL3868757 1.00 TRIM24 (0.58) TRIM24TRIM33ALDH1A1KMT2ACA1
SCHEMBL1539192 1.00 TRIM24 (0.58) TRIM24TRIM33ALDH1A1KMT2ACA1
SCHEMBL1539207 0.97 ALDH1A1 (0.55) TRIM24TRIM33ALDH1A1KMT2ACA1
SCHEMBL1539287 0.97 ALDH1A1 (0.55) TRIM24TRIM33ALDH1A1KMT2ACA1
SCHEMBL1774941 0.97 ALDH1A1 (0.55) TRIM24TRIM33ALDH1A1KMT2ACA1
SCHEMBL1539175 0.95 TRIM24 (0.52) TRIM24TRIM33ALDH1A1KMT2ACA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7943559-B2 Cyclopropanated macrocyclic ketones and lactones INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2011-05-17 US disclosed
US-7943560-B2 Cyclopropanated macrocyclic ketones and lactones INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2011-05-17 US disclosed
US-20090087402-A1 Cyclopropanated Macrocyclic Ketones and Lactones INTERNATIONAL FLAVORS & FRAGRANCES INC. 2009-04-02 US disclosed
US-20090081150-A1 CYCLOPROPANATED MACROCYCLIC KETONES AND LACTONES INTERNATIONAL FLAVORS & FRAGRANCES INC. 2009-03-26 US disclosed
US-7485668-B2 Cyclopropanated macrocyclic ketones and lactones INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2009-02-03 US disclosed
US-7482380-B2 Cyclopropanated macrocyclic ketones and lactones INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2009-01-27 US disclosed
US-20070142253-A1 Cyclopropanated Macrocyclic Ketones and Lactones INTERNATIONAL FLAVORS & FRAGRANCES INC. 2007-06-21 US disclosed
US-7189881-B2 Cyclopropanated macrocyclic ketones and lactones INTERNATIONAL FLAVORS & FRAGRANCES, INC. (US) 2007-03-13 US disclosed
US-20060234883-A1 For example, bicyclo[13.1.0]hexadecan-4-one; use in creating fragrances and scents in items such as perfumes, colognes and personal care products INTERNATIONAL FLAVORS & FRAGRANCES INC. 2006-10-19 US disclosed
US-20060234885-A1 Cyclopropanated macrocyclic ketones and lactones INTERNATIONAL FLAVORS & FRAGRANCES INC. 2006-10-19 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 (4 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-20070142253-A1 Cyclopropanated Macrocyclic Ketones and Lactones CBR3, CBR1, DCXR TRIM24 3472/4885TRIM33 3982/4885ALDH1A1 651/4885
US-20060234883-A1 For example, bicyclo[13.1.0]hexadecan-4-one; use in creating fragrances and scents in items such as perfumes, colognes and personal care products COL14A1, CCR4, PAOX TRIM24 3381/4885TRIM33 4734/4885ALDH1A1 1593/4885
US-20090087402-A1 Cyclopropanated Macrocyclic Ketones and Lactones CBR3, CBR1, DCXR TRIM24 3827/4885TRIM33 3831/4885ALDH1A1 648/4885
US-20090081150-A1 CYCLOPROPANATED MACROCYCLIC KETONES AND LACTONES CBR3, CBR1, DCXR TRIM24 3827/4885TRIM33 3831/4885ALDH1A1 648/4885

“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.