SCHEMBL1780491

SCHEMBL1780491

O=C1CCCCCCCCCCCC2CC12

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.48
CA1 P00915 3/20 0.44
CA2 P00918 2/20 0.44
CA4 P22748 2/20 0.44
MT-CO2 P00403 4/20 0.37
ALOX5 P09917 4/20 0.37
HTT P42858 1/20 0.36
MAPT P10636 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MCL1 Q07820 1/20 0.33
CA6 P23280 1/20 0.33
TRIM24 O15164 1/20 0.33
TRIM33 Q9UPN9 1/20 0.33
TLR4 O00206 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
SCHEMBL18440828 1.00 KMT2A (0.48) KMT2ACA1CA2CA4MT-CO2
SCHEMBL21027179 0.98
SCHEMBL87331 0.90
SCHEMBL62747 0.90
SCHEMBL24943786 0.86 CA1 (0.37) KMT2ACA1CA2CA4MT-CO2
SCHEMBL3397908 0.83 KMT2A (0.50) KMT2ACA1CA2CA4MT-CO2
SCHEMBL3721835 0.83 KMT2A (0.50) KMT2ACA1CA2CA4MT-CO2
SCHEMBL3477839 0.83 KMT2A (0.50) KMT2ACA1CA2CA4MT-CO2
SCHEMBL7706359 0.83 KMT2A (0.50) KMT2ACA1CA2CA4MT-CO2
SCHEMBL7109157 0.83 KMT2A (0.50) KMT2ACA1CA2CA4MT-CO2

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 24 patents — showing the first 20. 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
EP-1712538-B1 Cyclopropanated macrocyclic ketone INT FLAVORS & FRAGRANCES INC (US) 2011-07-27 EP disclosed
US-7943559-B2 Cyclopropanated macrocyclic ketones and lactones INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2011-05-17 US disclosed
US-7943559-B2 Cyclopropanated macrocyclic ketones and lactones INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2011-05-17 US disclosed
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-7943560-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
EP-2301927-A1 Cyclopropanated macrocyclic lactone International Flavors & Fragrances Inc. (US) 2011-03-30 EP disclosed
US-20090087402-A1 Cyclopropanated Macrocyclic Ketones and Lactones INTERNATIONAL FLAVORS & FRAGRANCES INC. 2009-04-02 US disclosed
US-7485668-B2 Cyclopropanated macrocyclic ketones and lactones INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2009-02-03 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-7482380-B2 Cyclopropanated macrocyclic ketones and lactones INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2009-01-27 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-20070142253-A1 Cyclopropanated Macrocyclic Ketones and Lactones INTERNATIONAL FLAVORS & FRAGRANCES INC. 2007-06-21 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-7189881-B2 Cyclopropanated macrocyclic ketones and lactones INTERNATIONAL FLAVORS & FRAGRANCES, INC. (US) 2007-03-13 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 (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-20070142253-A1 Cyclopropanated Macrocyclic Ketones and Lactones CBR3, CBR1, DCXR KMT2A 2816/4885CA1 2906/4885CA2 2803/4885
US-20090087402-A1 Cyclopropanated Macrocyclic Ketones and Lactones CBR3, CBR1, DCXR KMT2A 2512/4885CA1 2934/4885CA2 2754/4885

“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.