SCHEMBL723974

SCHEMBL723974

O=C(/C=C/c1ccccc1)OC1CCOC(=O)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.43
ALDH1A1 P00352 3/20 0.43
CYP2C19 P33261 1/20 0.43
HDAC3 O15379 1/20 0.41
TNKS O95271 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HCAR2 Q8TDS4 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
TNKS2 Q9H2K2 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
BCHE P06276 1/20 0.40

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
SCHEMBL723975 1.00 KMT2A (0.43) KMT2AALDH1A1CYP2C19HDAC3TNKS
SCHEMBL15031819 0.86 HDAC3 (0.37) KMT2AALDH1A1CYP2C19HDAC3TNKS
SCHEMBL725187 0.84 CYP2C19 (0.48) KMT2AALDH1A1CYP2C19HDAC3TNKS
SCHEMBL725186 0.84 CYP2C19 (0.48) KMT2AALDH1A1CYP2C19HDAC3TNKS
SCHEMBL28731805 0.79 KMT2A (0.51) KMT2AALDH1A1CYP2C19HDAC3TNKS
SCHEMBL2518038 0.78 TRPM8 (0.51) KMT2AALDH1A1CYP2C19HDAC3TNKS
SCHEMBL3255142 0.78 TRPM8 (0.51) KMT2AALDH1A1CYP2C19HDAC3TNKS
SCHEMBL15006829 0.76 CYP2C19 (0.49) KMT2AALDH1A1CYP2C19HDAC3TNKS
SCHEMBL15006830 0.76 CYP2C19 (0.49) KMT2AALDH1A1CYP2C19HDAC3TNKS
SCHEMBL15418654 0.76 CYP2C19 (0.49) KMT2AALDH1A1CYP2C19HDAC3TNKS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9163114-B2 Biodegradable shape memory polymer UNIVERSITY OF MASSACHUSETTS (US) 2015-10-20 US disclosed
US-9163114-B2 Biodegradable shape memory polymer UNIVERSITY OF MASSACHUSETTS (US) 2015-10-20 US disclosed
US-20130150533-A1 BIODEGRADABLE SHAPE MEMORY POLYMER UNIVERSITY OF MASSACHUSETTS 2013-06-13 US disclosed
US-20130150533-A1 BIODEGRADABLE SHAPE MEMORY POLYMER UNIVERSITY OF MASSACHUSETTS 2013-06-13 US disclosed
WO-2012027573-A2 BIODEGRADABLE SHAPE MEMORY POLYMER UNIVERSITY OF MASSACHUSETTS (US) 2012-03-01 WO disclosed
WO-2012027573-A2 BIODEGRADABLE SHAPE MEMORY POLYMER UNIVERSITY OF MASSACHUSETTS (US) 2012-03-01 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-20130150533-A1 BIODEGRADABLE SHAPE MEMORY POLYMER TLR1, SMC1A, PUF60 KMT2A 2713/4885ALDH1A1 2762/4885CYP2C19 3125/4885

“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.