SCHEMBL1120323

SCHEMBL1120323

COC(=O)CC(C)=CCO

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.50
GAA P10253 1/20 0.50
SI P14410 1/20 0.50
MGAM2 Q2M2H8 1/20 0.50
TSHR P16473 4/20 0.42
HSD17B10 Q99714 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
CYP3A4 P08684 2/20 0.38
ALOX15 P16050 2/20 0.38
ALDH1A1 P00352 3/20 0.37
MAPT P10636 2/20 0.37
UGT1A1 P22309 1/20 0.37
POLB P06746 1/20 0.33
POLA1 P09884 1/20 0.33
LMNA P02545 1/20 0.32
TET2 Q6N021 1/20 0.32
CYP4F2 P78329 1/20 0.31
CYP4A11 Q02928 1/20 0.31
CA12 O43570 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
SCHEMBL13191188 0.82 TSHR (0.56) MGAMGAASIMGAM2TSHR
SCHEMBL14314040 0.81 MGAM (0.50) MGAMGAASIMGAM2TSHR
SCHEMBL26657832 0.81 MGAM (0.50) MGAMGAASIMGAM2TSHR
SCHEMBL9448983 0.81 MGAM (0.50) MGAMGAASIMGAM2TSHR
SCHEMBL9448987 0.81 MGAM (0.50) MGAMGAASIMGAM2TSHR
SCHEMBL6965002 0.79
SCHEMBL17767250 0.75
SCHEMBL17767249 0.75
SCHEMBL17775762 0.75
SCHEMBL14536747 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013076148-A2 PERSONAL CARE COMPOSITIONS WITH ENHANCED FRAGRANCE DELIVERY VIA POLYHYDROXY QUATERNARY AMMONIUM SALTS UNILEVER PLC (GB) 2013-05-30 WO claimed
EP-2148649-B1 PERSONAL CARE COMPOSITIONS WITH ENHANCED FRAGRANCE DELIVERY UNILEVER PLC NO 41424 (GB) 2011-02-09 EP claimed
EP-2148649-A1 PERSONAL CARE COMPOSITIONS WITH ENHANCED FRAGRANCE DELIVERY Unilever Plc, A Company Registered In England And Wales under company no. 41424 of Unilever House (GB) 2010-02-03 EP claimed
US-20080299054-A1 PERSONAL CARE COMPOSITIONS WITH ENHANCED FRAGRANCE DELIVERY CONOPCO, INC., D/B/A UNILEVER (US) 2008-12-04 US claimed
WO-2008145582-A1 PERSONAL CARE COMPOSITIONS WITH ENHANCED FRAGRANCE DELIVERY UNILEVER PLC (GB) 2008-12-04 WO claimed
US-6844302-B1 Encapsulated flavor and fragrance INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2005-01-18 US claimed
US-20080299054-A1 PERSONAL CARE COMPOSITIONS WITH ENHANCED FRAGRANCE DELIVERY CONOPCO, INC., D/B/A UNILEVER (US) 2008-12-04 US disclosed
US-6844302-B1 Encapsulated flavor and fragrance INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2005-01-18 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 (1 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-20080299054-A1 PERSONAL CARE COMPOSITIONS WITH ENHANCED FRAGRANCE DELIVERY CUTA, KAT5, PUF60 MGAM 4383/4885GAA 2972/4885SI 3084/4885

“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.