SCHEMBL3869385

SCHEMBL3869385

O=C1CCCCCC2CC2CCCCCO1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.64
CA9 Q16790 1/20 0.64
FKBP4 Q02790 3/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
TSHR P16473 1/20 0.39
KMT2A Q03164 1/20 0.33
CYP2D6 P10635 1/20 0.33
CA2 P00918 1/20 0.30
CA4 P22748 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
SCHEMBL23530411 1.00 CA1 (0.64) CA1CA9FKBP4ALDH1A1LMNA
SCHEMBL2973595 1.00 CA1 (0.64) CA1CA9FKBP4ALDH1A1LMNA
SCHEMBL1539260 1.00 CA1 (0.64) CA1CA9FKBP4ALDH1A1LMNA
SCHEMBL2973591 1.00 CA1 (0.64) CA1CA9FKBP4ALDH1A1LMNA
SCHEMBL2973589 1.00 CA1 (0.64) CA1CA9FKBP4ALDH1A1LMNA
SCHEMBL1539158 0.96 CA1 (0.58) CA1CA9FKBP4ALDH1A1LMNA
SCHEMBL29047147 0.88 CA1 (0.62) CA1CA9FKBP4ALDH1A1LMNA
SCHEMBL3876370 0.84 CA1 (0.41) CA1CA9FKBP4
SCHEMBL7053729 0.82 CA1 (0.94) CA1CA9FKBP4ALDH1A1LMNA
SCHEMBL189541 0.82 CA1 (0.94) CA1CA9FKBP4ALDH1A1LMNA

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 4 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
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 (2 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-20090087402-A1 Cyclopropanated Macrocyclic Ketones and Lactones CBR3, CBR1, DCXR CA1 2934/4885CA9 1513/4885FKBP4 814/4885
US-20090081150-A1 CYCLOPROPANATED MACROCYCLIC KETONES AND LACTONES CBR3, CBR1, DCXR CA1 2934/4885CA9 1513/4885FKBP4 814/4885

“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.