SCHEMBL9414201

SCHEMBL9414201

C=C(C)C(=O)NCCN(C)CCO

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.35
TGFBR1 P36897 1/20 0.34
THRA P10827 1/20 0.31
THRB P10828 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
MAPT P10636 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
SCHEMBL15270870 0.84 PAOX (0.32) KDM4ETGFBR1
SCHEMBL16271563 0.84 KMT2A (0.37) TGFBR1MEN1KMT2A
SCHEMBL18331598 0.83 KDM4E (0.42) KDM4E
SCHEMBL11344769 0.83 TGFBR1 (0.35) TGFBR1MAPT
SCHEMBL109244 0.83 KDM5A (0.34) KDM4ETGFBR1
SCHEMBL14356797 0.83 TGFBR1 (0.35) KDM4ETGFBR1MAPT
SCHEMBL18331463 0.83 KDM4E (0.42) KDM4E
SCHEMBL18331597 0.83 KDM4E (0.42) KDM4E
SCHEMBL522742 0.82 KDM4C (0.41) KDM4EMEN1KMT2A
SCHEMBL18331532 0.81 KDM4E (0.41) KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170362458-A1 SWITCHABLE ANTIMICROBIAL AND ANTIFOULING CARBOXYBETAINE-BASED HYDROGELS AND ELASTOMERS WITH ENHANCED MECHANICAL PROPERTIES THE UNIVERSITY OF AKRON (US) 2017-12-21 US disclosed
US-20170362458-A1 SWITCHABLE ANTIMICROBIAL AND ANTIFOULING CARBOXYBETAINE-BASED HYDROGELS AND ELASTOMERS WITH ENHANCED MECHANICAL PROPERTIES THE UNIVERSITY OF AKRON (US) 2017-12-21 US disclosed
US-20170362458-A1 SWITCHABLE ANTIMICROBIAL AND ANTIFOULING CARBOXYBETAINE-BASED HYDROGELS AND ELASTOMERS WITH ENHANCED MECHANICAL PROPERTIES THE UNIVERSITY OF AKRON (US) 2017-12-21 US disclosed
WO-2014194268-A1 SWITCHABLE ANTIMICROBIAL AND ANTIFOULING CARBOXYBETAINE-BASED HYDROGELS THE UNIVERSITY OF AKRON (US) 2014-12-04 WO disclosed
EP-0604844-A1 Process for the preparation of trialkylammoniumalkyl (meth)acrylate compounds RÖHM GMBH (DE) 1994-07-06 EP 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-20170362458-A1 SWITCHABLE ANTIMICROBIAL AND ANTIFOULING CARBOXYBETAINE-BASED HYDROGELS AND ELASTOMERS WITH ENHANCED MECHANICAL PROPERTIES PTMS, PCNA, DDB1 KDM4E 489/4885TGFBR1 207/4885THRA 1644/4885

“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.