SCHEMBL1028536

SCHEMBL1028536

CC/C=C(\C(N)=O)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.45
CYP2C19 P33261 3/20 0.45
CYP3A4 P08684 3/20 0.45
L3MBTL1 Q9Y468 3/20 0.45
TDP1 Q9NUW8 2/20 0.45
TSHR P16473 2/20 0.45
POLB P06746 1/20 0.45
PARP1 P09874 1/20 0.45
RECQL P46063 1/20 0.45
BLM P54132 1/20 0.45
PMP22 Q01453 1/20 0.45
HSD17B10 Q99714 1/20 0.45
CES1 P23141 5/20 0.42
CES2 O00748 4/20 0.42
KMT2A Q03164 2/20 0.41
GAA P10253 2/20 0.41
AKR1C1 Q04828 1/20 0.41
NPSR1 Q6W5P4 3/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 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
SCHEMBL16246414 1.00 MAPT (0.45) MAPTCYP2C19CYP3A4L3MBTL1TDP1
SCHEMBL6209765 0.85 CYP3A4 (0.43) MAPTCYP2C19CYP3A4L3MBTL1TDP1
SCHEMBL348321 0.84 AKR1C1 (0.53) MAPTCYP2C19CYP3A4L3MBTL1TDP1
SCHEMBL3039305 0.84 AKR1C1 (0.53) MAPTCYP2C19CYP3A4L3MBTL1TDP1
SCHEMBL3039302 0.84 AKR1C1 (0.53) MAPTCYP2C19CYP3A4L3MBTL1TDP1
SCHEMBL29759324 0.83 NQO2 (0.53) MAPTCYP2C19CYP3A4TDP1TSHR
SCHEMBL28202429 0.82 TDP1 (0.46) MAPTCYP2C19CYP3A4L3MBTL1TDP1
SCHEMBL6971325 0.82 CES1 (0.44) MAPTCYP2C19CYP3A4L3MBTL1TDP1
SCHEMBL4755644 0.82 CES2 (0.59) MAPTCES1CES2AKR1C1CA12
SCHEMBL14764079 0.82 CES1 (0.48) MAPTCYP2C19CYP3A4L3MBTL1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10023700-B2 Hydrogel THE GOVERNORS OF THE UNIVERSITY OF ALBERTA 2018-07-17 US disclosed
US-20170190844-A1 HYDROGEL THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2017-07-06 US disclosed
US-20110089020-A1 Continuous Method for Producing Amides of Ethylenically Unsaturated Carboxylic Acids CLARIANT FINANCE (BVI) LIMITED (VG) 2011-04-21 US disclosed
EP-2274273-A1 CONTINUOUS METHOD FOR PRODUCING AMIDES OF ETHYLENICALLY UNSATURATED CARBOXYLIC ACIDS Clariant Finance (BVI) Limited (VG) 2011-01-19 EP disclosed
WO-2009121486-A1 CONTINUOUS METHOD FOR PRODUCING AMIDES OF ETHYLENICALLY UNSATURATED CARBOXYLIC ACIDS CLARIANT INTERNATIONAL LTD (CH) 2009-10-08 WO disclosed
US-6696607-B2 FUNGICIDES BASF AKTIENGESELLSCHAFT (DE) 2004-02-24 US disclosed
US-20030191190-A1 Use of phenethyl acrylamides, novel phenethyl acrylamides, method for the production thereof and agents containing the same BASF AKTIENGESELLSCHAFT (DE) 2003-10-09 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-20170190844-A1 HYDROGEL CD44, MMP1, COL2A1 MAPT 4586/4885CYP2C19 3381/4885CYP3A4 3168/4885
US-10023700-B2 Hydrogel CD44, MMP1, COL2A1 MAPT 4586/4885CYP2C19 3381/4885CYP3A4 3168/4885
US-20030191190-A1 Use of phenethyl acrylamides, novel phenethyl acrylamides, method for the production thereof and agents containing the same CCR6, CCR3, CCR1 MAPT 3971/4885CYP2C19 1970/4885CYP3A4 267/4885

“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.