SCHEMBL2920720

SCHEMBL2920720

COC(=O)C(C)C=C(C)C

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
CA14 Q9ULX7 3/20 0.38
ALDH1A1 P00352 2/20 0.36
CA12 O43570 2/20 0.35
KEAP1 Q14145 1/20 0.32
NFE2L2 Q16236 1/20 0.32
HCAR2 Q8TDS4 1/20 0.32
MMP2 P08253 1/20 0.32
MMP9 P14780 1/20 0.32
MMP13 P45452 1/20 0.32
KMT2A Q03164 3/20 0.31
TSHR P16473 2/20 0.31
MEN1 O00255 2/20 0.31
ALOX15 P16050 1/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
ESRRB O95718 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
SCHEMBL10005808 0.76 SMN1; SMN2 (0.43) SMN1; SMN2CA14ALDH1A1CA12MMP2
SCHEMBL6648517 0.76 SMN1; SMN2 (0.46) SMN1; SMN2CA14ALDH1A1CA12KEAP1
SCHEMBL6852534 0.76 SMN1; SMN2 (0.46) SMN1; SMN2CA14ALDH1A1CA12KEAP1
SCHEMBL18639464 0.75 SMN1; SMN2 (0.37) SMN1; SMN2CA14CA12CA1CA2
SCHEMBL222114 0.74
SCHEMBL1555007 0.74
SCHEMBL10756335 0.73 CYP2D6 (0.38) SMN1; SMN2CA14ALDH1A1CA12KEAP1
SCHEMBL1785562 0.73
SCHEMBL12907664 0.72
SCHEMBL2911301 0.72

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
EP-2225382-B1 NEW MALONATE DECARBOXYLASES FOR INDUSTRIAL APPLICATIONS BASF SE (DE) 2016-11-09 EP disclosed
US-20150147800-A1 MALONATE DECARBOXYLASES FOR INDUSTRIAL APPLICATIONS BASF SE (DE) 2015-05-28 US disclosed
US-8951750-B2 Malonate decarboxylases for industrial applications BASF SE (DE) 2015-02-10 US disclosed
EP-2565274-A1 New malonate decarboxylases for industrial applications BASF SE (DE) 2013-03-06 EP disclosed
EP-2565273-A1 New malonate decarboxylases for industrial applications BASF SE (DE) 2013-03-06 EP disclosed
US-20100311037-A1 MALONATE DECARBOXYLASES FOR INDUSTRIAL APPLICATIONS BASF SE (DE) 2010-12-09 US disclosed
EP-2225382-A2 NEW MALONATE DECARBOXYLASES FOR INDUSTRIAL APPLICATIONS BASF SE (DE) 2010-09-08 EP disclosed
WO-2009068308-A2 NEW MALONATE DECARBOXYLASES FOR INDUSTRIAL APPLICATIONS BASF SE (DE) 2009-06-04 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 (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-20100311037-A1 MALONATE DECARBOXYLASES FOR INDUSTRIAL APPLICATIONS ME1, AMD1, GMDS SMN1; SMN2 2916/4885CA14 2441/4885ALDH1A1 139/4885

“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.