SCHEMBL3876370

SCHEMBL3876370

O=C1CC2CC2CCCCCO1

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.41
CA9 Q16790 1/20 0.41
CYP1A2 P05177 1/20 0.33
FKBP4 Q02790 3/20 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
SCHEMBL2973595 0.84 CA1 (0.64) CA1CA9FKBP4
SCHEMBL2973591 0.84 CA1 (0.64) CA1CA9FKBP4
SCHEMBL2973589 0.84 CA1 (0.64) CA1CA9FKBP4
SCHEMBL3869385 0.84 CA1 (0.64) CA1CA9FKBP4
SCHEMBL1539260 0.84 CA1 (0.64) CA1CA9FKBP4
SCHEMBL23530411 0.84 CA1 (0.64) CA1CA9FKBP4
SCHEMBL1539158 0.80 CA1 (0.58) CA1CA9FKBP4
SCHEMBL11366405 0.79 CYP1A2 (0.39) CA1CA9CYP1A2
SCHEMBL13304669 0.77 CYP1A2 (0.40) CA1CA9CYP1A2
SCHEMBL28701342 0.73 CA1 (0.43) CA1CA9CYP1A2FKBP4

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
EP-2301927-B1 Cyclopropanated macrocyclic lactone INT FLAVORS & FRAGRANCES INC (US) 2016-01-27 EP 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
EP-1712538-A1 Cyclopropanated macrocyclic ketones and lactones INTERNATIONAL FLAVORS & FRAGRANCES, INC. (US) 2006-10-18 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 (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 CA1 2906/4885CA9 1659/4885CYP1A2 120/4885
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 CA1 2829/4885CA9 1189/4885CYP1A2 282/4885
US-20090087402-A1 Cyclopropanated Macrocyclic Ketones and Lactones CBR3, CBR1, DCXR CA1 2934/4885CA9 1513/4885CYP1A2 90/4885
US-20090081150-A1 CYCLOPROPANATED MACROCYCLIC KETONES AND LACTONES CBR3, CBR1, DCXR CA1 2934/4885CA9 1513/4885CYP1A2 90/4885

“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.