SCHEMBL826023

SCHEMBL826023

CCNC(=O)c1ccc(CC)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 2/20 0.68
LMNA P02545 5/20 0.59
HPGD P15428 2/20 0.59
MAPT P10636 2/20 0.59
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
ALDH1A1 P00352 6/20 0.58
TDP1 Q9NUW8 1/20 0.58
TAS1R3 Q7RTX0 1/20 0.56
TAS1R1 Q7RTX1 1/20 0.56
MAPK1 P28482 1/20 0.54
NLRP1 Q9C000 1/20 0.54
GAA P10253 4/20 0.51
NPC1 O15118 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
POLB P06746 1/20 0.51
AGTR1 P30556 1/20 0.51
ACACB O00763 1/20 0.50
HDAC3 O15379 1/20 0.50
HDAC1 Q13547 1/20 0.50

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
SCHEMBL5909057 0.89 CA12 (0.58) PLK1LMNAHPGDMAPTMEN1
SCHEMBL10789232 0.86 EPHX2 (0.60) PLK1LMNAHPGDMAPTMEN1
SCHEMBL10951282 0.86 PLK1 (0.72) PLK1LMNAHPGDMAPTMEN1
SCHEMBL1980812 0.84 MEN1 (0.53) PLK1LMNAHPGDMAPTMEN1
SCHEMBL6360077 0.84 PLK1 (0.63) PLK1LMNAKMT2AALDH1A1TDP1
SCHEMBL6078477 0.84 MEN1 (0.56) PLK1LMNAHPGDMAPTMEN1
SCHEMBL13461011 0.84 HDAC3 (0.63) PLK1LMNAHPGDMAPTMEN1
SCHEMBL13761394 0.84 LMNA (0.53) PLK1LMNAHPGDMAPTMEN1
SCHEMBL13554186 0.82 HDAC6 (0.54) PLK1LMNAHPGDMAPTMEN1
SCHEMBL8404665 0.82 PLK1 (0.61) PLK1LMNAHPGDALDH1A1TDP1

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 142 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022073424-A1 SMALL MOLECULE COMPOUND SERVING AS JAK KINASE INHIBITOR AND USE THEREOF 嘉兴特科罗生物科技有限公司 2022-04-14 WO disclosed
WO-2021022076-A1 MOLECULES AND METHODS RELATED TO TREATMENT OF UNCONTROLLED CELLULAR PROLIFERATION ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2021-02-04 WO disclosed
EP-3022184-B1 SUBSTITUTED BENZENE COMPOUNDS EPIZYME INC (US) 2017-09-27 EP disclosed
WO-2016138527-A1 PYRIMIDINE DERIVATIVES AS KINASE INHIBITORS AND THEIR THERAPEUTICAL APPLICATIONS NANTBIOSCIENCE, INC. (US) 2016-09-01 WO disclosed
US-20160194316-A1 SUBSTITUTED BENZENE COMPOUNDS Epizyme, Inc. 2016-07-07 US disclosed
US-20160031907-A1 Substituted Benzene Compounds Epizyme, Inc. 2016-02-04 US disclosed
US-8969571-B2 Biphenyl derivatives THERAVANCE RESPIRATORY COMPANY, LLC (US) 2015-03-03 US disclosed
US-20140234364-A1 TOTAL SYNTHESIS AND IMMUNOLOGICAL EVALUATION OF SACCHARIDE MOIETIES OF THE LIPOPOLYSACCHARIDE FROM NEISSERIA MENINGITIDIS MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2014-08-21 US disclosed
US-20140234364-A1 TOTAL SYNTHESIS AND IMMUNOLOGICAL EVALUATION OF SACCHARIDE MOIETIES OF THE LIPOPOLYSACCHARIDE FROM NEISSERIA MENINGITIDIS MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2014-08-21 US disclosed
US-20140235864-A1 BIPHENYL DERIVATIVES THERAVANCE, INC. (US) 2014-08-21 US disclosed
US-4160095-A PROSTAGLANDINS; ANTIINFLAMMATORY AGENTS THE UPJOHN COMPANY (US) 1979-07-03 US disclosed
US-4157441-A PROSTAGLANDINS, ANTIINFLAMMATORY AGENTS THE UPJOHN COMPANY (US) 1979-06-05 US disclosed
US-4151351-A PROSTAGLANDINS, ANTIINFLAMMATORY THE UPJOHN COMPANY (US) 1979-04-24 US disclosed
US-4131738-A 6-Hydroxy-PGE1 compounds THE UPJOHN COMPANY (US) 1978-12-26 US disclosed
US-4128713-A 6,7-Didehydro-PGI1 compounds THE UPJOHN COMPANY (US) 1978-12-05 US disclosed
US-4126744-A PROSTACYCLIN, MUSCLE STIMULANTS, PLATELET AGGREGATION INHIBITORS THE UPJOHN COMPANY (US) 1978-11-21 US disclosed
US-4112224-A PROSTAGLANDIN THE UPJOHN COMPANY (US) 1978-09-05 US disclosed
US-4109082-A PROSTACYCLIN ANALOGS; SMOOTH MUSCLE STIMULATORS THE UPJOHN COMPANY (US) 1978-08-22 US disclosed
US-4100192-A Inter-phenylene-PG amides THE UPJOHN COMPANY (US) 1978-07-11 US disclosed
US-4097489-A PROSTAGLANDINS THE UPJOHN COMPANY (US) 1978-06-27 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 (4 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-20160031907-A1 Substituted Benzene Compounds CYP1B1, CYP4B1, CYP2B6 PLK1 1268/4885LMNA 1797/4885HPGD 98/4885
US-20140235864-A1 BIPHENYL DERIVATIVES ADRB1, ADRB2, ADRB3 PLK1 2967/4885LMNA 3024/4885HPGD 3026/4885
US-20160194316-A1 SUBSTITUTED BENZENE COMPOUNDS CYP1B1, TP53, VHL PLK1 998/4885LMNA 1888/4885HPGD 133/4885
US-20140234364-A1 TOTAL SYNTHESIS AND IMMUNOLOGICAL EVALUATION OF SACCHARIDE MOIETIES OF THE LIPOPOLYSACCHARIDE FROM NEISSERIA MENINGITIDIS FUT5, DAD1, STT3B PLK1 2881/4885LMNA 1379/4885HPGD 148/4885

“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.