SCHEMBL9944607

SCHEMBL9944607

CC(=O)/C=C/c1ccc(C=O)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.46
KDM4E B2RXH2 2/20 0.46
LMNA P02545 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C19 P33261 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
FDPS P14324 1/20 0.45
GLA P06280 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
IAPP P10997 2/20 0.43
PTGS1 P23219 1/20 0.43
APP P05067 3/20 0.41
HDAC3 O15379 3/20 0.41
HDAC4 P56524 3/20 0.41
HDAC1 Q13547 3/20 0.41
HDAC7 Q8WUI4 3/20 0.41
HDAC2 Q92769 3/20 0.41
HDAC10 Q969S8 3/20 0.41
HDAC11 Q96DB2 3/20 0.41

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
SCHEMBL1481958 0.84 P4HTM (0.54) MAPTKDM4ELMNASMN1; SMN2GLA
SCHEMBL1481960 0.84 P4HTM (0.54) MAPTKDM4ELMNASMN1; SMN2GLA
SCHEMBL10072095 0.80 IAPP (0.53) KDM4EHTTSMN1; SMN2IAPPAPP
SCHEMBL1704850 0.79 CA12 (0.56) MAPTKDM4EFDPSAPPALDH1A1
SCHEMBL1704853 0.79 CA12 (0.56) MAPTKDM4EFDPSAPPALDH1A1
SCHEMBL13928028 0.78 HDAC8 (0.42) KDM4ELMNASMN1; SMN2FDPSTDP1
SCHEMBL1320223 0.78 ESR1 (0.37) KDM4ELMNACYP2C19HTTSMN1; SMN2
SCHEMBL1320221 0.78 ESR1 (0.37) KDM4ELMNACYP2C19HTTSMN1; SMN2
SCHEMBL9944613 0.77 KDM4E (0.45) MAPTKDM4ELMNACYP1A2CYP2C19
SCHEMBL22811244 0.77 MAPT (0.44) MAPTKDM4ELMNAHTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140155439-A1 ENZYME INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2014-06-05 US disclosed
US-20130303576-A1 ENZYME INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2013-11-14 US disclosed
US-20120149736-A1 ENZYME INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2012-06-14 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 (3 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-20130303576-A1 ENZYME INHIBITORS HDAC1, HDAC4, HDAC3 MAPT 4416/4885KDM4E 115/4885LMNA 947/4885
US-20140155439-A1 ENZYME INHIBITORS HDAC4, HDAC1, HDAC3 MAPT 4727/4885KDM4E 266/4885LMNA 1539/4885
US-20120149736-A1 ENZYME INHIBITORS HAT1, HDAC1, NAT1 MAPT 3121/4885KDM4E 427/4885LMNA 835/4885

“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.