SCHEMBL9735358

SCHEMBL9735358

CC(CSCCC(F)(F)F)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ APEX1 P27695 1/20 0.36
▸ GABRR1 P24046 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ BHMT Q93088 4/20 0.33
▸ NOS1 P29475 2/20 0.31
▸ NOS2 P35228 2/20 0.31
▸ NOS3 P29474 1/20 0.31
▸ ARG1 P05089 1/20 0.31
▸ ARG2 P78540 1/20 0.31
▸ BHMT2 Q9H2M3 1/20 0.30

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
SCHEMBL28298382 0.83 EPHX1 (0.32) NOS1NOS2NOS3
SCHEMBL16651067 0.83 — —
SCHEMBL17530133 0.81 GABRR1 (0.42) APEX1GABRR1CYP1A2BHMTNOS1
SCHEMBL18822722 0.80 APEX1 (0.37) APEX1GABRR1CYP1A2
SCHEMBL16676845 0.77 ARG1 (0.31) ARG1ARG2
SCHEMBL19137660 0.77 MTNR1A (0.32) —
SCHEMBL19137659 0.77 MTNR1A (0.32) —
SCHEMBL7845774 0.76 GABRR1 (0.46) APEX1GABRR1CYP1A2
SCHEMBL12344066 0.75 TDP1 (0.39) APEX1GABRR1CYP1A2BHMTNOS1
SCHEMBL9735363 0.75 ACE2 (0.39) APEX1GABRR1CYP1A2BHMTNOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10315999-B2 Processes for the preparation of pesticidal compounds DOW AGROSCIENCES LLC (US) 2019-06-11 — — US disclosed
US-20180282285-A1 PROCESSES FOR THE PREPARATION OF PESTICIDAL COMPOUNDS CORTEVA AGRISCIENCE LLC 2018-10-04 — — US disclosed
US-9988356-B2 Processes for the preparation of pesticidal compounds DOW AGROSCIENCES LLC (US) 2018-06-05 — — US disclosed
US-20180099945-A1 PROCESSES FOR THE PREPARATION OF PESTICIDAL COMPOUNDS DOW AGROSCIENCES LLC (US) 2018-04-12 — — US disclosed
US-9908864-B2 Processes for the preparation of pesticidal compounds DOW AGROSCIENCES LLC (US) 2018-03-06 — — US disclosed
US-20180044319-A1 PROCESSES FOR THE PREPARATION OF PESTICIDAL COMPOUNDS DOW AGROSCIENCES LLC (US) 2018-02-15 — — US disclosed
US-20180016238-A1 PROCESSES FOR THE PREPARATION OF PESTICIDAL COMPOUNDS DOW AGROSCIENCES LLC (US) 2018-01-18 — — US disclosed
US-9862702-B2 Processes for the preparation of pesticidal compounds DOW AGROSCIENCES LLC (US) 2018-01-09 — — US disclosed
US-9796682-B2 Processes for the preparation of pesticidal compounds DOW AGROSCIENCES LLC (US) 2017-10-24 — — US disclosed
US-20170233367-A1 PROCESSES FOR THE PREPARATION OF PESTICIDAL COMPOUNDS DOW AGROSCIENCES LLC (US) 2017-08-17 — — US disclosed
US-20150111733-A1 PESTICIDAL COMPOSITIONS AND RELATED METHODS DOW AGROSCIENCES LLC 2015-04-23 — — US disclosed
US-20150112075-A1 PROCESSES FOR THE PREPARATION OF PESTICIDAL COMPOUNDS DOW AGROSCIENCES LLC 2015-04-23 — — US disclosed
WO-2015058024-A1 PROCESSES FOR THE PREPARATION OF PESTICIDAL COMPOUNDS DOW AGROSCIENCES LLC (US) 2015-04-23 — — WO disclosed
WO-2015058023-A1 PROCESSES FOR THE PREPARATION OF PESTICIDAL COMPOUNDS DOW AGROSCIENCES LLC (US) 2015-04-23 — — WO disclosed
US-20150112076-A1 PROCESSES FOR THE PREPARATION OF PESTICIDAL COMPOUNDS DOW AGROSCIENCES LLC 2015-04-23 — — US disclosed
US-20150111733-A1 PESTICIDAL COMPOSITIONS AND RELATED METHODS DOW AGROSCIENCES LLC 2015-04-23 — — US disclosed
US-20150112078-A1 PROCESSES FOR THE PREPARATION OF PESTICIDAL COMPOUNDS DOW AGROSCIENCES LLC 2015-04-23 — — US disclosed
WO-2015058021-A1 PROCESSES FOR THE PREPARATION OF PESTICIDAL COMPOUNDS DOW AGROSCIENCES LLC (US) 2015-04-23 — — WO disclosed
US-5098599-A Aromatic esters with sulfide groups as liquid crystals MITSUBISHI RAYON COMPANY LTD. (JP) 1992-03-24 — — US disclosed
EP-0354355-A1 Optically active compound and liquid crystal composition MITSUBISHI RAYON CO., LTD. (JP) 1990-02-14 — — EP 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 (10 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-20180016238-A1 PROCESSES FOR THE PREPARATION OF PESTICIDAL COMPOUNDS DDT, ACHE, PTMS APEX1 910/4885GABRR1 651/4885CYP1A2 179/4885
US-20150112078-A1 PROCESSES FOR THE PREPARATION OF PESTICIDAL COMPOUNDS DDT, ACHE, PTMS APEX1 910/4885GABRR1 651/4885CYP1A2 179/4885
US-20180044319-A1 PROCESSES FOR THE PREPARATION OF PESTICIDAL COMPOUNDS DDT, ACHE, PTMS APEX1 910/4885GABRR1 651/4885CYP1A2 179/4885
US-20150112075-A1 PROCESSES FOR THE PREPARATION OF PESTICIDAL COMPOUNDS DDT, ACHE, PTMS APEX1 910/4885GABRR1 651/4885CYP1A2 179/4885
US-10315999-B2 Processes for the preparation of pesticidal compounds DDT, ACHE, PTMS APEX1 910/4885GABRR1 651/4885CYP1A2 179/4885
US-20150111733-A1 PESTICIDAL COMPOSITIONS AND RELATED METHODS ACHE, CNP, PRDX2 APEX1 1537/4885GABRR1 350/4885CYP1A2 249/4885
US-20180099945-A1 PROCESSES FOR THE PREPARATION OF PESTICIDAL COMPOUNDS DDT, ACHE, PTMS APEX1 910/4885GABRR1 651/4885CYP1A2 179/4885
US-20150112076-A1 PROCESSES FOR THE PREPARATION OF PESTICIDAL COMPOUNDS DDT, ACHE, PTMS APEX1 910/4885GABRR1 651/4885CYP1A2 179/4885
US-20180282285-A1 PROCESSES FOR THE PREPARATION OF PESTICIDAL COMPOUNDS DDT, ACHE, PTMS APEX1 910/4885GABRR1 651/4885CYP1A2 179/4885
US-20170233367-A1 PROCESSES FOR THE PREPARATION OF PESTICIDAL COMPOUNDS DDT, ACHE, PTMS APEX1 910/4885GABRR1 651/4885CYP1A2 179/4885

“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.

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