SCHEMBL1785023

SCHEMBL1785023

CCCC/C=C/CCC(C)=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F7 P08709 2/20 0.57
F3 P13726 2/20 0.57
PPARG P37231 5/20 0.52
PPARD Q03181 4/20 0.52
PPARA Q07869 4/20 0.52
TERT O14746 3/20 0.52
PTPN1 P18031 3/20 0.52
MAPT P10636 3/20 0.52
BLM P54132 3/20 0.52
HSD17B10 Q99714 3/20 0.52
FABP4 P15090 3/20 0.52
KMT2A Q03164 3/20 0.52
TOP1 P11387 3/20 0.52
CYP1A2 P05177 2/20 0.52
CYP2C19 P33261 2/20 0.52
FAAH O00519 2/20 0.52
USP2 O75604 2/20 0.52
LMNA P02545 2/20 0.52
ALOX15 P16050 2/20 0.52
RECQL P46063 2/20 0.52

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
SCHEMBL1785025 1.00 F7 (0.57) F7F3PPARGPPARDPPARA
SCHEMBL1784609 0.93 PPARG (0.61) F7F3PPARGPPARDPPARA
SCHEMBL11502529 0.93 PPARG (0.61) F7F3PPARGPPARDPPARA
SCHEMBL1784610 0.93 PPARG (0.61) F7F3PPARGPPARDPPARA
SCHEMBL1783654 0.91 TERT (0.64) F7F3PPARGPPARDPPARA
SCHEMBL1783702 0.91 TERT (0.64) F7F3PPARGPPARDPPARA
SCHEMBL1783700 0.91 TERT (0.64) F7F3PPARGPPARDPPARA
SCHEMBL11705619 0.91 TERT (0.64) F7F3PPARGPPARDPPARA
SCHEMBL1784194 0.91 TERT (0.64) F7F3PPARGPPARDPPARA
SCHEMBL1782092 0.91 TERT (0.64) F7F3PPARGPPARDPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2935188-A1 USING MIXTURES OF E/Z ISOMERS TO OBTAIN QUANTITATIVELY SPECIFIC PRODUCTS BY COMBINED ASYMMETRIC HYDROGENATIONS DSM IP Assets B.V. (NL) 2015-10-28 EP disclosed
WO-2014096106-A1 USING MIXTURES OF E/Z ISOMERS TO OBTAIN QUANTITATIVELY SPECIFIC PRODUCTS BY COMBINED ASYMMETRIC HYDROGENATIONS DSM IP ASSETS B.V. (NL) 2014-06-26 WO disclosed
US-8632792-B2 Cooling sensation agent composition and sensory stimulation agent composition TAKASAGO INTERNATIONAL CORPORATION (JP) 2014-01-21 US disclosed
US-20110117147-A1 COOLING SENSATION AGENT COMPOSITION AND SENSORY STIMULATION AGENT COMPOSITION TAKASAGO INTERNATIONAL CORPORATION (JP) 2011-05-19 US disclosed
WO-2009123355-A2 COOLING SENSATION AGENT COMPOSITION AND SENSORY STIMULATION AGENT COMPOSITION TAKASAGO INTERNATIONAL CORPORATION (JP) 2009-10-08 WO disclosed
US-7112699-B2 Process for the direct conversion of lactones into unsaturated ketones or aldehydes FIRMENICH SA (CH) 2006-09-26 US disclosed
US-20060036116-A1 Process for the direct conversion of lactones into unsaturated ketones or aldehydes FIRMENICH SA (CH) 2006-02-16 US disclosed
EP-1615868-A1 PROCESS FOR THE DIRECT CONVERSION OF LACTONES INTO UNSATURATED KETONES OR ALDEHYDES FIRMENICH SA (CH) 2006-01-18 EP disclosed
WO-2004089861-A1 PROCESS FOR THE DIRECT CONVERSION OF LACTONES INTO UNSATURATED KETONES OR ALDEHYDES FIRMENICH SA (CH) 2004-10-21 WO 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-20110117147-A1 COOLING SENSATION AGENT COMPOSITION AND SENSORY STIMULATION AGENT COMPOSITION TRPA1, HRH1, HRH2 F7 1618/4885F3 1168/4885PPARG 1977/4885
US-20060036116-A1 Process for the direct conversion of lactones into unsaturated ketones or aldehydes TECR, PC, SOD1 F7 1328/4885F3 648/4885PPARG 72/4885

“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.