SCHEMBL6935611

SCHEMBL6935611

CCC(O)(c1ccc(F)cc1)c1ccc(F)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.50
CYP2D6 P10635 2/20 0.50
CYP2C9 P11712 2/20 0.50
CYP2C19 P33261 2/20 0.50
KMT2A Q03164 6/20 0.47
HTT P42858 3/20 0.47
LMNA P02545 2/20 0.47
RAB9A P51151 2/20 0.43
USP2 O75604 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
GAA P10253 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MEN1 O00255 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
CYP19A1 P11511 1/20 0.41
KCNN4 O15554 1/20 0.40
HSD11B1 P28845 1/20 0.39
ESR1 P03372 1/20 0.38

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
SCHEMBL11764142 0.92 KMT2A (0.53) CYP3A4CYP2D6CYP2C9CYP2C19KMT2A
SCHEMBL10784555 0.92 ESR1 (0.52) CYP3A4CYP2D6CYP2C9CYP2C19KMT2A
SCHEMBL28076786 0.87 NFE2L2 (0.47) CYP3A4CYP2D6CYP2C9CYP2C19KMT2A
SCHEMBL28076784 0.87 NFE2L2 (0.47) CYP3A4CYP2D6CYP2C9CYP2C19KMT2A
SCHEMBL11015940 0.81 L3MBTL1 (0.49) CYP3A4CYP2D6CYP2C9CYP2C19KMT2A
SCHEMBL6092358 0.81 KCNN4 (0.45) CYP3A4CYP2D6CYP2C9CYP2C19KMT2A
SCHEMBL10737908 0.80 CYP1A2 (0.43) CYP2D6CYP2C19LMNAL3MBTL1SMN1; SMN2
SCHEMBL23003764 0.80 ALDH1A1 (0.41) CYP3A4CYP2D6CYP2C9CYP2C19KMT2A
SCHEMBL12457120 0.79 RAB9A (0.42) CYP3A4CYP2D6CYP2C9CYP2C19KMT2A
SCHEMBL3885050 0.78 CYP3A4 (0.52) CYP3A4CYP2D6CYP2C9CYP2C19KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3240773-A1 PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY Dow AgroSciences LLC (US) 2017-11-08 EP disclosed
EP-3240424-A1 USE OF PICOLINAMIDE COMPOUNDS AS FUNGICIDES Dow AgroSciences LLC (US) 2017-11-08 EP disclosed
WO-2016122802-A1 PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY DOW AGROSCIENCES LLC (US) 2016-08-04 WO disclosed
WO-2016109257-A1 USE OF PICOLINAMIDE COMPOUNDS AS FUNGICIDES DOW AGROSCIENCES LLC (US) 2016-07-07 WO disclosed
WO-2008096372-A2 PROCESS FOR PREPARING HIGHLY PURE EZETIMIBE USING NOVEL INTERMEDIATES IND-SWIFT LABORATORIES LIMITED (IN) 2008-08-14 WO disclosed
EP-1167372-B1 2,2-(Diaryl)vinylphosphine compound, palladium catalyst thereof, and process for producing arylamine, diaryl, or arylalkyne with the catalyst TAKASAGO PERFUMERY CO LTD (JP) 2003-12-10 EP disclosed
US-6455720-B1 AS CATALYSTS TAKASAGO INTERNATIONAL CORPORATION (JP) 2002-09-24 US disclosed
US-20020058837-A1 2,2 (Diarlyl) Vinylphosphine compound, palladium catalyst thereof, and process for producing arylamine, diaryl, or arylalkyne with the catalyst TAKASAGO INTERNATIONAL CORPORATION (JP) 2002-05-16 US disclosed
EP-1167372-A1 2,2-(Diaryl)vinylphosphine compound, palladium catalyst thereof, and process for producing arylamine, diaryl, or arylalkyne with the catalyst Takasago International Corporation (JP) 2002-01-02 EP disclosed
EP-0137718-A2 Fungicidal triazoleethanols E.I. DU PONT DE NEMOURS AND COMPANY (US) 1985-04-17 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 (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-20020058837-A1 2,2 (Diarlyl) Vinylphosphine compound, palladium catalyst thereof, and process for producing arylamine, diaryl, or arylalkyne with the catalyst DDT, PDCD11, PLD2 CYP3A4 1390/4885CYP2D6 309/4885CYP2C9 1940/4885

“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.