SCHEMBL718956

SCHEMBL718956

C=C(C)COc1ccc(/C=C/C(=O)O)cc1OC

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SNCA P37840 2/20 0.74
KDM4E B2RXH2 4/20 0.69
ALDH1A1 P00352 2/20 0.69
HPGD P15428 1/20 0.69
ALOX15 P16050 1/20 0.69
MAPK1 P28482 1/20 0.69
SMN1; SMN2 Q16637 1/20 0.69
HSD17B10 Q99714 1/20 0.69
MTNR1A P48039 1/20 0.63
AKR1C3 P42330 1/20 0.62
FDPS P14324 2/20 0.61
HDAC1 Q13547 1/20 0.60
HDAC2 Q92769 1/20 0.60
HDAC8 Q9BY41 1/20 0.60
POLB P06746 1/20 0.60
PTGES O14684 1/20 0.58
CA12 O43570 1/20 0.58
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58
CA3 P07451 1/20 0.58

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
SCHEMBL3692498 1.00 SNCA (0.74) SNCAKDM4EALDH1A1HPGDALOX15
SCHEMBL19918301 0.88 SNCA (0.80) SNCAKDM4EALDH1A1HPGDALOX15
SCHEMBL25275685 0.88 SNCA (0.80) SNCAKDM4EALDH1A1HPGDALOX15
SCHEMBL14229893 0.85 KDM4E (0.86) SNCAKDM4EALDH1A1HPGDALOX15
Boropinic Acid SCHEMBL16792175 0.84 PTGES (0.81) SNCAKDM4EALDH1A1HPGDALOX15
SCHEMBL30966315 0.83 KDM4E (0.80) SNCAKDM4EALDH1A1HPGDALOX15
SCHEMBL30482666 0.83 KDM4E (0.77) SNCAKDM4EALDH1A1HPGDALOX15
SCHEMBL3690899 0.83 KDM4E (0.80) SNCAKDM4EALDH1A1HPGDALOX15
SCHEMBL3690896 0.83 KDM4E (0.80) SNCAKDM4EALDH1A1HPGDALOX15
SCHEMBL25222797 0.83 KDM4E (0.77) SNCAKDM4EALDH1A1HPGDALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200188878-A1 MOLECULARLY IMPRINTED POLYMERS MONASH UNIVERSITY (AU) 2020-06-18 US disclosed
US-20160288090-A1 MOLECULARLY IMPRINTED POLYMERS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2016-10-06 US disclosed
US-20120052757-A1 MOLECULARLY IMPRINTED POLYMERS MONASH UNIVERSITY (AU) 2012-03-01 US disclosed
EP-2391658-A1 MOLECULARLY IMPRINTED POLYMERS Commonwealth Scientific and Industrial Research Organisation (AU) 2011-12-07 EP disclosed
US-7795310-B2 Methods and reagents for the treatment of metabolic disorders COMBINATORX, INC. (US) 2010-09-14 US disclosed
WO-2010085851-A1 MOLECULARLY IMPRINTED POLYMERS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2010-08-05 WO disclosed
EP-1781303-A4 METHODS AND REAGENTS FOR THE TREATMENT OF METABOLIC DISORDERS COMBINATORX INC (US) 2008-07-02 EP disclosed
EP-1781303-A1 METHODS AND REAGENTS FOR THE TREATMENT OF METABOLIC DISORDERS CombinatoRx, Incorporated (US) 2007-05-09 EP disclosed
US-20060069161-A1 Methods and reagents for the treatment of metabolic disorders COMBINATORX, INC. (US) 2006-03-30 US disclosed
WO-2006004803-A1 METHODS AND REAGENTS FOR THE TREATMENT OF METABOLIC DISORDERS COMBINATORX, INCORPORATED (US) 2006-01-12 WO disclosed
US-4026896-A ANTIALLERGENS KISSEI YAKUHIN KOGYO KABUSHIKI KAISHA (KISSEI PHARMACEUTICAL CO. LTD.) (JA) 1977-05-31 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 (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-20160288090-A1 MOLECULARLY IMPRINTED POLYMERS IPMK, MPI, PIM3 SNCA 4492/4885KDM4E 738/4885ALDH1A1 1036/4885
US-20120052757-A1 MOLECULARLY IMPRINTED POLYMERS IPMK, MPI, PIM3 SNCA 4492/4885KDM4E 738/4885ALDH1A1 1036/4885
US-20200188878-A1 MOLECULARLY IMPRINTED POLYMERS IPMK, MPI, PIM3 SNCA 4492/4885KDM4E 738/4885ALDH1A1 1036/4885
US-20060069161-A1 Methods and reagents for the treatment of metabolic disorders LIPC, PNLIP, GOT2 SNCA 4048/4885KDM4E 3045/4885ALDH1A1 626/4885

“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.