SCHEMBL517738

SCHEMBL517738

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.52
CYP2C19 P33261 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
POLB P06746 1/20 0.52
CYP3A4 P08684 1/20 0.52
PARP1 P09874 1/20 0.52
MAPT P10636 1/20 0.52
RECQL P46063 1/20 0.52
BLM P54132 1/20 0.52
PMP22 Q01453 1/20 0.52
HSD17B10 Q99714 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
AKR1C1 Q04828 2/20 0.47
GAA P10253 1/20 0.47
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
AKR1C3 P42330 1/20 0.44
AKR1C2 P52895 1/20 0.44
CES2 O00748 4/20 0.44
CES1 P23141 4/20 0.44

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
SCHEMBL517736 1.00 TSHR (0.52) TSHRCYP2C19TDP1POLBCYP3A4
SCHEMBL1628733 0.82 TDP1 (0.52) TSHRCYP2C19TDP1POLBCYP3A4
SCHEMBL17397067 0.82 TDP1 (0.52) TSHRCYP2C19TDP1POLBCYP3A4
SCHEMBL8679701 0.82 TDP1 (0.52) TSHRCYP2C19TDP1POLBCYP3A4
SCHEMBL28000528 0.81 AKR1C1 (0.50) TSHRCYP2C19TDP1POLBCYP3A4
SCHEMBL2555171 0.81 AKR1C1 (0.61) TSHRCYP2C19TDP1POLBCYP3A4
SCHEMBL1996918 0.81 AKR1C1 (0.61) TSHRCYP2C19TDP1POLBCYP3A4
SCHEMBL367696 0.81 AKR1C1 (0.61) TSHRCYP2C19TDP1POLBCYP3A4
SCHEMBL9298954 0.81 AKR1C1 (0.50) TSHRCYP2C19TDP1POLBCYP3A4
Acetic Acid SCHEMBL28542071 0.81 TSHR (0.46) TSHRCYP2C19TDP1POLBCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101193854-A Cinnamic, phenylpropiolic and phenylpropanoic acid derivatives useful as anti-tumour agents SIGMA TAU IND FARMACEUTI (IT) 2008-06-04 CN claimed
WO-2023227125-A1 NEW FUSED-HETEROCYCLIC COMPOUND AS CDK INHIBITOR AND USE THEREOF 杭州德睿智药科技有限公司 2023-11-30 WO disclosed
CN-113747894-A Degradation agent for fibroblast growth factor receptor 2(FGFR2) 丹娜-法伯癌症研究公司 2021-12-03 CN disclosed
WO-2019170088-A1 OXAZINO-QUINAZOLINE AND OXAZINO-QUINAZOLINE TYPE COMPOUND, PREPARATION METHOD THEREFOR, AND USES THEREOF 北京赛特明强医药科技有限公司 2019-09-12 WO disclosed
US-9789118-B2 Bicyclic acetyl-CoA carboxylase inhibitors and uses thereof NOVARTIS AG (CH) 2017-10-17 US disclosed
CN-107151224-A A kind of synthetic method of the alkyl-indol ketone derivatives of 3 methyl 3 江苏理工学院 2017-09-12 CN disclosed
US-20140171363-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS AND USES THEREOF NOVARTIS AG (CH) 2014-06-19 US disclosed
US-8697739-B2 Bicyclic acetyl-CoA carboxylase inhibitors and uses thereof NOVARTIS AG (CH) 2014-04-15 US disclosed
EP-2598486-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS Novartis AG (CH) 2013-06-05 EP disclosed
US-20120028969-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS AND USES THEREOF NOVARTIS AG (CH) 2012-02-02 US disclosed
WO-2012013716-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS NOVARTIS AG (CH) 2012-02-02 WO disclosed
CN-101193854-A Cinnamic, phenylpropiolic and phenylpropanoic acid derivatives useful as anti-tumour agents SIGMA TAU IND FARMACEUTI (IT) 2008-06-04 CN disclosed
EP-1743363-A2 THERMALLY CURED UNDERCOAT FOR LITHOGRAPHIC APPLICATION FujiFilm Electronic Materials USA, Inc. (US) 2007-01-17 EP disclosed
WO-2005089150-A2 THERMALLY CURED UNDERCOAT FOR LITHOGRAPHIC APPLICATION FUJIFILM ELECTRONIC MATERIALS USA INC. (US) 2005-09-29 WO disclosed
CN-87105515-A Derivatives of phenylbutenamide compounds and preparation method thereof 1988-03-23 CN 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 (2 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-20140171363-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS AND USES THEREOF ACACA, ACACB, COASY TSHR 4585/4885CYP2C19 300/4885TDP1 4350/4885
US-20120028969-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS AND USES THEREOF ACACA, ACACB, COASY TSHR 4585/4885CYP2C19 300/4885TDP1 4350/4885

“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.