SCHEMBL6823274

SCHEMBL6823274

CSc1ccc(C(=C(c2ccc(SC(C)C#N)cc2)c2ccc(SC(C)C#N)cc2)c2ccc(SC(C)C#N)cc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.37
SLC6A4 P31645 9/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MAOA P21397 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A3 Q01959 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ACACB O00763 1/20 0.32
CTSC P53634 1/20 0.32
KDM4E B2RXH2 1/20 0.31
HAO1 Q9UJM8 1/20 0.31
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31

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
SCHEMBL6312464 0.93 KDM4E (0.34) KMT2AALDH1A1KDM4E
SCHEMBL6311776 0.79 CYP1A1 (0.47) MEN1KMT2AALDH1A1HPGDKDM4E
SCHEMBL7835694 0.76 ESR1 (0.46) MEN1KMT2AALDH1A1HPGDHSD17B10
SCHEMBL4757844 0.68 ALDH1A1 (0.41) ALDH1A1KDM4E
SCHEMBL6823277 0.68 PLK1 (0.36) PLK1SLC6A4MEN1KMT2AMAOA
SCHEMBL6826375 0.67 PLK1 (0.45) PLK1MEN1KMT2ATAS1R3TAS1R1
SCHEMBL13111201 0.66 SLC6A4 (0.46) SLC6A4MAOASLC6A2SLC6A3ALDH1A1
SCHEMBL7786870 0.66 PLK1 (0.40) PLK1MEN1KMT2AALDH1A1HPGD
SCHEMBL7786868 0.66 PLK1 (0.40) PLK1MEN1KMT2AALDH1A1HPGD
SCHEMBL8018940 0.64 TSHR (0.54) PLK1SLC6A4MAOAALDH1A1ACACB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6740782-B2 SUCH AS CLATHRATE 1,1,2,2-TETRAKIS(4-CHLOROSULFONYL-PHENYL)ETHYLENE; FOR IMPROVED PERFORMANCE DURING SEPARATION OF SUBSTANCES, CHEMICAL STABILIZATION, NON-VOLATILIZATION, SUSTAINED RELEASE, AND PULVERIZATION NIPPON SODA CO., LTD. (JP) 2004-05-25 US disclosed
US-20030130358-A1 Such as clathrate 1,1,2,2-tetrakis(4-chlorosulfonyl-phenyl)ethylene; for improved performance during separation of substances, chemical stabilization, non-volatilization, sustained release, and pulverization NIPPON SODA CO., LTD. (JP) 2003-07-10 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 (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-20030130358-A1 Such as clathrate 1,1,2,2-tetrakis(4-chlorosulfonyl-phenyl)ethylene; for improved performance during separation of substances, chemical stabilization, non-volatilization, sustained release, and pulverization CBS, CCT4, TST PLK1 3645/4885SLC6A4 1486/4885MEN1 2242/4885

“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.