SCHEMBL13744948

SCHEMBL13744948

COCCOCc1cc(C(F)(F)F)ccc1C(=O)C1C(=O)CCCC1=O

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HPD P32754 1/20 0.52
LIPG Q9Y5X9 2/20 0.41
LIPC P11150 1/20 0.41
PPARG P37231 1/20 0.38
KDM4E B2RXH2 3/20 0.37
HTT P42858 2/20 0.37
KMT2A Q03164 1/20 0.37
HPGD P15428 2/20 0.36
CFTR P13569 1/20 0.36
ALDH1A1 P00352 1/20 0.35
SCN8A Q9UQD0 1/20 0.35

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
SCHEMBL115363 0.77 HPD (0.41) HPD
SCHEMBL9134337 0.72 HPD (0.64) HPDKDM4E
SCHEMBL13291365 0.72 CNR1 (0.32) HPDKMT2AALDH1A1
SCHEMBL28751529 0.70 HPD (0.50) HPDKMT2A
SCHEMBL6137047 0.70 HPD (0.45) HPDPPARGKDM4EKMT2AHPGD
SCHEMBL22443003 0.69 HPD (0.33) HPD
SCHEMBL15996621 0.69 HPD (0.79) HPDKDM4EKMT2AHPGDALDH1A1
Nitisinone SCHEMBL29372670 0.69 HPD (1.00) HPDKMT2AALDH1A1
Nitisinone SCHEMBL338795 0.69 HPD (1.00) HPDKMT2AALDH1A1
Nitisinone SCHEMBL15537279 0.69 HPD (1.00) HPDKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230180757-A1 SUBSTITUTED ISOPHTHALIC ACID DIAMIDES AND THEIR USE AS HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 2023-06-15 US disclosed
US-20230180757-A1 SUBSTITUTED ISOPHTHALIC ACID DIAMIDES AND THEIR USE AS HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 2023-06-15 US disclosed
US-9035064-B2 N-(1,2,5-oxadiazol-3-yl)pyridinecarboxamides and use thereof as herbicides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-05-19 US disclosed
US-9035064-B2 N-(1,2,5-oxadiazol-3-yl)pyridinecarboxamides and use thereof as herbicides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-05-19 US disclosed
US-20140066301-A1 N-(1,2,5-OXADIAZOL-3-YL)PYRIDINECARBOXAMIDES AND USE THEREOF AS HERBICIDES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-03-06 US disclosed
US-20140066301-A1 N-(1,2,5-OXADIAZOL-3-YL)PYRIDINECARBOXAMIDES AND USE THEREOF AS HERBICIDES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-03-06 US disclosed
US-20090209513-A1 Insecticidal Compositions Having Improved Effect BAYER CROPSCIENCE AG (DE) 2009-08-20 US disclosed
US-20090209513-A1 Insecticidal Compositions Having Improved Effect BAYER CROPSCIENCE AG (DE) 2009-08-20 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-20230180757-A1 SUBSTITUTED ISOPHTHALIC ACID DIAMIDES AND THEIR USE AS HERBICIDES DDT, DAO, IDH2 HPD 62/4885LIPG 4563/4885LIPC 2210/4885
US-20090209513-A1 Insecticidal Compositions Having Improved Effect PTEN, PIK3CG, PIK3CD HPD 360/4885LIPG 3095/4885LIPC 1079/4885
US-20140066301-A1 N-(1,2,5-OXADIAZOL-3-YL)PYRIDINECARBOXAMIDES AND USE THEREOF AS HERBICIDES CBR3, PRDX4, PRDX1 HPD 102/4885LIPG 4701/4885LIPC 3591/4885

“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.