SCHEMBL14920987

SCHEMBL14920987

OCC1(c2ncc(C(F)(F)F)cc2Cl)CC1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.48
GAA P10253 2/20 0.48
HTT P42858 1/20 0.48
PLAU P00749 1/20 0.43
TRPV1 Q8NER1 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.41
NPSR1 Q6W5P4 3/20 0.41
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
POLB P06746 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KDM4E B2RXH2 1/20 0.40
HPGD P15428 2/20 0.40
GLA P06280 1/20 0.40
LMNA P02545 1/20 0.39
XBP1 P17861 1/20 0.39
MAPK1 P28482 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
SCHEMBL14920319 0.85 ALDH1A1 (0.42) ALDH1A1GAAHTTPLAUTRPV1
SCHEMBL14920148 0.85 ALDH1A1 (0.45) ALDH1A1GAAHTTPLAUSMN1; SMN2
SCHEMBL4428168 0.82 ALDH1A1 (0.41) ALDH1A1GAAHTTPLAUSMN1; SMN2
SCHEMBL16828379 0.74 MAPK1 (0.45) ALDH1A1HTTSMN1; SMN2NPSR1MAPT
SCHEMBL14920146 0.74 ALDH1A1 (0.50) ALDH1A1GAAHTTPLAUSMN1; SMN2
SCHEMBL14920531 0.73 KMT2A (0.43) ALDH1A1GAAHTTPLAUSMN1; SMN2
SCHEMBL14920299 0.73 L3MBTL1 (0.43) ALDH1A1GAAHTTPLAUSMN1; SMN2
SCHEMBL18193867 0.72 P2RX7 (0.48) MEN1KMT2A
SCHEMBL14920448 0.72 ALDH1A1 (0.44) ALDH1A1GAAHTTPLAUSMN1; SMN2
SCHEMBL705068 0.72 ALDH1A1 (0.42) ALDH1A1GAAHTTTRPV1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2773617-B1 PESTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2018-08-22 EP disclosed
US-20150223456-A1 PESTICIDAL COMPOUNDS SYNGENTA LIMITED (GB) 2015-08-13 US disclosed
US-20150223456-A1 PESTICIDAL COMPOUNDS SYNGENTA LIMITED (GB) 2015-08-13 US disclosed
US-20150223456-A1 PESTICIDAL COMPOUNDS SYNGENTA LIMITED (GB) 2015-08-13 US disclosed
US-9040708-B2 Pesticidal compounds SYNGENTA LIMITED (GB) 2015-05-26 US disclosed
US-9040708-B2 Pesticidal compounds SYNGENTA LIMITED (GB) 2015-05-26 US disclosed
US-9040708-B2 Pesticidal compounds SYNGENTA LIMITED (GB) 2015-05-26 US disclosed
US-20140296067-A1 PESTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2014-10-02 US disclosed
US-20140296067-A1 PESTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2014-10-02 US disclosed
US-20140296067-A1 PESTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2014-10-02 US disclosed
EP-2773617-A1 PESTICIDAL COMPOUNDS Syngenta Participations AG (CH) 2014-09-10 EP disclosed
WO-2013064521-A1 PESTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2013-05-10 WO disclosed
WO-2013064521-A1 PESTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2013-05-10 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 (2 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-20150223456-A1 PESTICIDAL COMPOUNDS C5, CBR3, C3AR1 ALDH1A1 1233/4885GAA 4163/4885HTT 656/4885
US-20140296067-A1 PESTICIDAL COMPOUNDS C5, CBR3, C3AR1 ALDH1A1 1233/4885GAA 4163/4885HTT 656/4885

“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.