Sugi Predict

Sugi Predict / Compounds / SCHEMBL2587917

SCHEMBL2587917

SCHEMBL2587917

C=CCOCCCCC(Oc1ccc(Cl)c2cccnc12)C(=O)O.CCCC(C)C(Oc1ccc(Cl)c2c(C)ccnc12)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.35
▸ ALOX12 P18054 2/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ MAPT P10636 3/20 0.34
▸ L3MBTL1 Q9Y468 3/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ NPSR1 Q6W5P4 2/20 0.34
▸ HTT P42858 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ GAA P10253 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.31
▸ MEN1 O00255 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ CCR6 P51684 2/20 0.31
▸ LMNA P02545 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ CHRM2 P08172 1/20 0.31
▸ ADRB1 P08588 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
SCHEMBL692903 0.90 PKM (0.37) KDM4EALOX12CYP3A4TDP1MAPT
SCHEMBL600770 0.84 KDM4E (0.44) KDM4EALOX12CYP3A4TDP1MAPT
SCHEMBL15226760 0.79 TSHR (0.36) KDM4EALOX12CYP3A4TDP1HTR2A
SCHEMBL3717116 0.77 PKM (0.42) KDM4EALOX12CYP3A4TDP1MAPT
SCHEMBL600529 0.77 KDM4E (0.47) KDM4EALOX12CYP3A4TDP1MAPT
SCHEMBL14969487 0.76 KDM4E (0.50) KDM4EALOX12CYP3A4TDP1MAPT
SCHEMBL14969485 0.76 KDM4E (0.50) KDM4EALOX12CYP3A4TDP1MAPT
SCHEMBL571782 0.76 KDM4E (0.50) KDM4EALOX12CYP3A4TDP1MAPT
SCHEMBL9953942 0.76 KDM4E (0.34) KDM4EALOX12CYP3A4TDP1MAPT
Water SCHEMBL6469700 0.75 KDM4E (0.49) KDM4EALOX12CYP3A4TDP1MAPT

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-9414595-B2 Use of anthranilic acid diamide derivatives for pest control in transgenic crops BAYER CROPSCIENCE AG (DE) 2016-08-16 — — US disclosed
US-20140329676-A1 USE OF ANTHRANILIC ACID DIAMIDE DERIVATIVES FOR PEST CONTROL IN TRANSGENIC CROPS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2014-11-06 — — US disclosed
US-8586628-B2 Use of Propineb as bird repellent BAYER CROPSCIENCE AG (DE) 2013-11-19 — — US disclosed
US-20110269832-A1 USE OF PROPINEB AS BIRD REPELLENT BAYER CROPSCIENCE AG (DE) 2011-11-03 — — US disclosed
US-20100273874-A1 USE OF PROPINEB AS BIRD REPELLENT BAYER CROPSCIENCE AG (DE) 2010-10-28 — — 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-20140329676-A1 USE OF ANTHRANILIC ACID DIAMIDE DERIVATIVES FOR PEST CONTROL IN TRANSGENIC CROPS AADAC, DDT, QDPR KDM4E 1189/4885ALOX12 3482/4885CYP3A4 1953/4885
US-20110269832-A1 USE OF PROPINEB AS BIRD REPELLENT NMBR, EPHB4, EPHB1 KDM4E 1792/4885ALOX12 4375/4885CYP3A4 1756/4885
US-20100273874-A1 USE OF PROPINEB AS BIRD REPELLENT NMBR, EPHB4, EPHB1 KDM4E 1792/4885ALOX12 4375/4885CYP3A4 1756/4885

“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.