SCHEMBL2458716

SCHEMBL2458716

[Li]c1cccc(C(F)(F)F)c1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPL P40238 3/20 0.40
IDO1 P14902 1/20 0.39
TDO2 P48775 1/20 0.39
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
AXL P30530 1/20 0.34
NFKB1 P19838 1/20 0.34
KIF11 P52732 1/20 0.34
HSD11B1 P28845 1/20 0.34
HCAR1 Q9BXC0 1/20 0.34
NOTUM Q6P988 1/20 0.34
EPHX2 P34913 1/20 0.34
KAT6A Q92794 1/20 0.34
CTSS P25774 1/20 0.33
P2RX7 Q99572 1/20 0.33
KDM1A O60341 1/20 0.33
CES1 P23141 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.33

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
SCHEMBL7601747 0.82 MPL (0.46) MPLIDO1TDO2ALDH1A1POLB
SCHEMBL5396350 0.77 ALDH1A1 (0.43) IDO1ALDH1A1POLBTDP1L3MBTL1
SCHEMBL448487 0.75 HSD11B1 (0.47) MPLIDO1TDO2ALDH1A1POLB
SCHEMBL29551965 0.75 HSD11B1 (0.47) MPLIDO1TDO2ALDH1A1POLB
SCHEMBL11612177 0.74 ALDH1A1 (0.39) IDO1ALDH1A1POLBTDP1L3MBTL1
SCHEMBL28918929 0.73 IDO1 (0.43) MPLIDO1TDO2ALDH1A1POLB
SCHEMBL476648 0.71 MPL (0.40) MPLIDO1TDO2ALDH1A1POLB
SCHEMBL476650 0.71 MPL (0.44) MPLIDO1TDO2KIF11HSD11B1
SCHEMBL899344 0.71 ULK1 (0.40) MPLIDO1TDO2ALDH1A1POLB
SCHEMBL12326344 0.71 MPL (0.40) MPLIDO1TDO2ALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2371831-B1 PROCESS FOR PRODUCING ORGANOLITHIUM COMPOUND AND PROCESS FOR PRODUCING SUBSTITUTED AROMATIC COMPOUND NIPPON SODA CO (JP) 2016-09-07 EP disclosed
CN-102245616-B Method for producing organolithium compound and method for producing substituted aromatic compound NIPPON SODA CO.,LTD. (JP) 2016-03-30 CN disclosed
US-9133098-B2 Process for producing organolithium compound and process for producing substituted aromatic compound NIPPON SODA CO., LTD. (JP) 2015-09-15 US disclosed
US-20150025276-A1 PROCESS FOR PRODUCING ORGANOLITHIUM COMPOUND AND PROCESS FOR PRODUCING SUBSTITUTED AROMATIC COMPOUND NIPPON SODA CO., LTD. (JP) 2015-01-22 US disclosed
US-8871970-B2 Process for producing organolithium compound and process for producing substituted aromatic compound NIPPON SODA CO., LTD. (JP) 2014-10-28 US disclosed
EP-2371831-A1 PROCESS FOR PRODUCING ORGANOLITHIUM COMPOUND AND PROCESS FOR PRODUCING SUBSTITUTED AROMATIC COMPOUND Nippon Soda Co., Ltd. (JP) 2011-10-05 EP disclosed
US-20110224457-A1 PROCESS FOR PRODUCING ORGANOLITHIUM COMPOUND AND PROCESS FOR PRODUCING SUBSTITUTED AROMATIC COMPOUND NIPPON SODA CO., LTD. 2011-09-15 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 (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-20110224457-A1 PROCESS FOR PRODUCING ORGANOLITHIUM COMPOUND AND PROCESS FOR PRODUCING SUBSTITUTED AROMATIC COMPOUND C9, TRPA1, PKD1 MPL 2917/4885IDO1 4077/4885TDO2 1332/4885
US-20150025276-A1 PROCESS FOR PRODUCING ORGANOLITHIUM COMPOUND AND PROCESS FOR PRODUCING SUBSTITUTED AROMATIC COMPOUND C9, TRPA1, PKD1 MPL 2917/4885IDO1 4077/4885TDO2 1332/4885

“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.