SCHEMBL795085

SCHEMBL795085

C=C(c1cc(C(F)(F)F)nc(C(F)(F)F)c1)C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 1/20 0.35
▸ HSP90AB1 P08238 1/20 0.35
▸ LMNA P02545 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ ALDH1A1 P00352 3/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ CRHBP P24387 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ CRHR2 Q13324 1/20 0.32
▸ CES2 O00748 1/20 0.31
▸ KDM4E B2RXH2 3/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ ADORA2A P29274 1/20 0.30
▸ ADORA1 P30542 1/20 0.30
▸ GPBAR1 Q8TDU6 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ NT5E P21589 1/20 0.30
▸ GAA P10253 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
SCHEMBL854637 0.87 NT5E (0.33) HSP90AA1HSP90AB1LMNAPOLBKDM4E
SCHEMBL861899 0.87 GPBAR1 (0.36) HSP90AA1HSP90AB1LMNAPOLBALDH1A1
SCHEMBL16406338 0.87 HSP90AA1 (0.46) HSP90AA1HSP90AB1POLBALDH1A1CYP3A4
SCHEMBL112329 0.77 CES2 (0.54) CES2GAA
SCHEMBL853903 0.74 S1PR2 (0.33) —
SCHEMBL15516575 0.73 HSP90AA1 (0.42) HSP90AA1HSP90AB1LMNAPOLBALDH1A1
SCHEMBL854980 0.72 CES2 (0.35) HSP90AA1HSP90AB1CES2GPBAR1
SCHEMBL12098246 0.71 ALOX15 (0.48) TSHRCES2
SCHEMBL30092263 0.71 KDM4E (0.35) HSP90AA1HSP90AB1LMNAALDH1A1KDM4E
SCHEMBL871414 0.71 CES2 (0.42) CES2GPBAR1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9375000-B2 Pesticidal arylpyrrolidines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-06-28 — — US disclosed
US-9375000-B2 Pesticidal arylpyrrolidines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-06-28 — — US disclosed
US-9375000-B2 Pesticidal arylpyrrolidines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-06-28 — — US disclosed
US-9206122-B2 Pesticidal arylpyrrolidines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-12-08 — — US disclosed
US-9206122-B2 Pesticidal arylpyrrolidines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-12-08 — — US disclosed
US-9055749-B2 Insecticidal arylpyrrolines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-06-16 — — US disclosed
US-9055749-B2 Insecticidal arylpyrrolines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-06-16 — — US disclosed
US-9055749-B2 Insecticidal arylpyrrolines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-06-16 — — US disclosed
EP-2432762-B1 INSECTICIDAL ARYLPYRROLINES BAYER CROPSCIENCE AG (DE) 2015-02-25 — — EP disclosed
EP-2432762-B1 INSECTICIDAL ARYLPYRROLINES BAYER CROPSCIENCE AG (DE) 2015-02-25 — — EP disclosed
US-20120108635-A1 Insecticidal Arylpyrrolines BAYER CROPSCIENCE AG (DE) 2012-05-03 — — US disclosed
US-20120108635-A1 Insecticidal Arylpyrrolines BAYER CROPSCIENCE AG (DE) 2012-05-03 — — US disclosed
US-20120108635-A1 Insecticidal Arylpyrrolines BAYER CROPSCIENCE AG (DE) 2012-05-03 — — US disclosed
EP-2432762-A1 INSECTICIDAL ARYLPYRROLINES Bayer CropScience AG (DE) 2012-03-28 — — EP disclosed
WO-2012035011-A1 PESTICIDAL ARYLPYRROLIDINES BAYER CROPSCIENCE AG (DE) 2012-03-22 — — WO disclosed
WO-2012035011-A1 PESTICIDAL ARYLPYRROLIDINES BAYER CROPSCIENCE AG (DE) 2012-03-22 — — WO disclosed
WO-2011080211-A1 PESTICIDAL ARYLPYRROLIDINES BAYER CROPSCIENCE AG (DE) 2011-07-07 — — WO disclosed
WO-2011080211-A1 PESTICIDAL ARYLPYRROLIDINES BAYER CROPSCIENCE AG (DE) 2011-07-07 — — WO disclosed
WO-2010133336-A1 INSECTICIDAL ARYLPYRROLINES BAYER CROPSCIENCE AG (DE) 2010-11-25 — — WO disclosed
WO-2010133336-A1 INSECTICIDAL ARYLPYRROLINES BAYER CROPSCIENCE AG (DE) 2010-11-25 — — WO 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-20120108635-A1 Insecticidal Arylpyrrolines DDT, ACHE, CYP1A2 HSP90AA1 1346/4885HSP90AB1 1557/4885LMNA 3502/4885

“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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