SCHEMBL1017940

SCHEMBL1017940

C[CH]Oc1ccccc1CCOc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 2/20 0.44
HRH1 P35367 1/20 0.41
HTR1B P28222 2/20 0.41
HTR1D P28221 1/20 0.41
ALDH1A1 P00352 2/20 0.40
TAAR1 Q96RJ0 1/20 0.40
RECQL P46063 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
ATM Q13315 1/20 0.40
LTA4H P09960 1/20 0.40
DRD2 P14416 3/20 0.39
DRD4 P21917 2/20 0.39
DRD3 P35462 1/20 0.39
KCNH2 Q12809 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL9854725 0.81 TAAR1 (0.56) KCNA3TAAR1L3MBTL1MAPTHPGD
SCHEMBL11705264 0.80 HRH1 (0.56) KCNA3HRH1HTR1BHTR1DALDH1A1
SCHEMBL15079417 0.72 MAPT (0.61) TAAR1L3MBTL1MAPTHPGDATM
SCHEMBL10692545 0.72 L3MBTL1 (0.50) L3MBTL1MAPTHPGDATM
SCHEMBL15079979 0.71 L3MBTL1 (0.56) ALDH1A1TAAR1L3MBTL1MAPTHPGD
SCHEMBL11129111 0.71 THRA (0.56) THRB
SCHEMBL64326 0.71 THRA (0.56) THRB
SCHEMBL18139176 0.71 THRA (0.56) THRB
SCHEMBL5491774 0.71 THRA (0.56) THRB
SCHEMBL11323416 0.71 THRA (0.56) THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9095140-B2 Use of dithiine-tetracarboximides for controlling phytopathogenic fungi BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-08-04 US disclosed
US-20150065551-A1 Use of Dithiine-tetracarboximides for Controlling Phytopathogenic Fungi BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-03-05 US disclosed
US-8865759-B2 Use of dithiine-tetracarboximides for controlling phytopathogenic fungi BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-10-21 US disclosed
EP-2386203-B1 Use of dithiin tetracarboximides for combating phytopathogenic fungi BAYER CROPSCIENCE AG (DE) 2013-11-20 EP disclosed
US-20110319462-A1 Use of Dithiine-tetracarboximides for Controlling Phytopathogenic Fungi BAYER CROPSCIENCE AG 2011-12-29 US disclosed
EP-2271219-B1 USE OF DITHIIN TETRACARBOXIMIDES FOR TREATING PHYTOPATHOGENIC FUNGI BAYER CROPSCIENCE AG (DE) 2011-11-23 EP disclosed
EP-2386203-A2 Use of dithiin tetracarboximides for combating phytopathogenic fungi Bayer CropScience AG (DE) 2011-11-16 EP disclosed
US-8040455-B2 Display device and information processing device having the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2011-10-18 US disclosed
EP-2271219-A1 USE OF DITHIIN TETRACARBOXIMIDES FOR TREATING PHYTOPATHOGENIC FUNGI Bayer CropScience AG (DE) 2011-01-12 EP disclosed
US-20100120884-A1 USE OF DITHIINE-TETRACARBOXIMIDES FOR CONTROLLING PHYTOPATHOGENIC FUNGI BAYER CROPSCIENCE AG (DE) 2010-05-13 US disclosed
WO-2010043319-A1 USE OF DITHIIN TETRACARBOXIMIDES FOR TREATING PHYTOPATHOGENIC FUNGI BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2010-04-22 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 (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-20100120884-A1 USE OF DITHIINE-TETRACARBOXIMIDES FOR CONTROLLING PHYTOPATHOGENIC FUNGI TST, TTI1, DPM1 KCNA3 3971/4885HRH1 3817/4885HTR1B 4858/4885
US-20110319462-A1 Use of Dithiine-tetracarboximides for Controlling Phytopathogenic Fungi TST, TTI1, DPM1 KCNA3 3971/4885HRH1 3817/4885HTR1B 4858/4885
US-20150065551-A1 Use of Dithiine-tetracarboximides for Controlling Phytopathogenic Fungi TST, TTI1, DPM1 KCNA3 3971/4885HRH1 3817/4885HTR1B 4858/4885

“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.