SCHEMBL19136524

SCHEMBL19136524

CC(F)(F)C(O)c1cc(Cl)cc(Cl)c1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GRN P28799 2/20 0.37
▸ SORT1 Q99523 2/20 0.37
▸ TSHR P16473 1/20 0.35
▸ PDE2A O00408 1/20 0.32
▸ GABRA1 P14867 1/20 0.31
▸ GABRB1 P18505 1/20 0.31
▸ AKR1B10 O60218 1/20 0.31
▸ AKR1C4 P17516 1/20 0.31
▸ AKR1C3 P42330 1/20 0.31
▸ AKR1C2 P52895 1/20 0.31
▸ AKR1C1 Q04828 1/20 0.31
▸ APP P05067 1/20 0.31
▸ ADRB2 P07550 1/20 0.30
▸ ADRB1 P08588 1/20 0.30
▸ PDK1 Q15118 3/20 0.30
▸ PDK2 Q15119 3/20 0.30
▸ PDK3 Q15120 3/20 0.30
▸ PDK4 Q16654 3/20 0.30
▸ CNR2 P34972 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
SCHEMBL15791911 0.83 TSHR (0.35) GRNSORT1TSHR
SCHEMBL14321425 0.82 GRN (0.39) GRNSORT1TSHR
SCHEMBL19136185 0.81 HSD17B10 (0.36) TSHRPDE2AADRB2ADRB1
SCHEMBL19136514 0.79 CYP1A2 (0.35) TSHRPDE2AADRB2ADRB1
SCHEMBL31288705 0.78 LMNA (0.41) TSHRADRB2PDK1PDK2PDK3
Hydrochloric Acid SCHEMBL31288671 0.77 TSHR (0.40) TSHRADRB2PDK1PDK2PDK3
SCHEMBL19136758 0.75 GRN (0.33) GRNSORT1PDE2A
SCHEMBL19136388 0.74 CES2 (0.42) PDE2AADRB2ADRB1
SCHEMBL19136578 0.74 TSHR (0.35) GRNSORT1TSHR
SCHEMBL15795215 0.74 SLC6A2 (0.40) AKR1C3AKR1C2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017132014-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2017-08-03 — — WO disclosed
US-20170210723-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2017-07-27 — — US disclosed
US-20170210723-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2017-07-27 — — US disclosed
US-20170210723-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2017-07-27 — — 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 (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-20170210723-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO ACHE, DDT, MSMO1 GRN 3248/4885SORT1 3348/4885TSHR 3449/4885

“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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