SCHEMBL2454827

SCHEMBL2454827

COc1ccc(Cc2ccn(C(n3ccc(Cc4ccc(OC)cc4)n3)n3ccc(Cc4ccc(OC)cc4)n3)n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.46
SLC6A4 P31645 1/20 0.43
MIF P14174 1/20 0.43
ALDH1A1 P00352 5/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 2/20 0.41
CYP2D6 P10635 1/20 0.41
ATM Q13315 1/20 0.41
ALOX15 P16050 2/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
ALOX12 P18054 1/20 0.41
IDO1 P14902 1/20 0.40
HPGD P15428 1/20 0.40
POLB P06746 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
CMA1 P23946 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
SCHEMBL6616497 0.74 SAE1 (0.43) LTA4HMIFALDH1A1SMN1; SMN2CYP2D6
SCHEMBL8816460 0.74 MIF (0.41) LTA4HMIFALDH1A1SMN1; SMN2LMNA
SCHEMBL4985181 0.73 ALDH1A1 (0.42) LTA4HSLC6A4MIFALDH1A1SMN1; SMN2
SCHEMBL2454824 0.72 NPC1 (0.48) ALDH1A1SMN1; SMN2LMNACYP2D6ATM
SCHEMBL28943228 0.72 CACNA1G (0.46) LTA4HMIFALDH1A1SMN1; SMN2LMNA
SCHEMBL1425001 0.71 LTA4H (0.81) LTA4HSLC6A4ALDH1A1SMN1; SMN2LMNA
SCHEMBL27884 0.71 LTA4H (0.81) LTA4HSLC6A4ALDH1A1SMN1; SMN2LMNA
Ammonia Solution, Strong SCHEMBL20919857 0.69 LTA4H (0.77) LTA4HSLC6A4ALDH1A1SMN1; SMN2LMNA
SCHEMBL23742231 0.67 LTA4H (0.61) LTA4HSLC6A4ALDH1A1SMN1; SMN2LMNA
SCHEMBL29987771 0.67 LTA4H (0.50) LTA4HSLC6A4MIFALDH1A1SMN1; 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 10 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
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
US-7368516-B2 Catalyst for trimerization of ethylene and process for trimerizing ethylene using the catalyst TOSOH CORPORATION (JP) 2008-05-06 US disclosed
US-20050187419-A1 Catalyst for trimerization of ethylene and process for trimerizing ethylene using the catalyst TOSOH CORPORATION (JP) 2005-08-25 US disclosed
US-6900152-B2 Catalyst for trimerization of ethylene and process for trimerizing ethylene using the catalyst TOSOH CORPORATION (JP) 2005-05-31 US disclosed
US-20020035029-A1 Catalyst for trimerization of ethylene and process for trimerizing ethylene using the catalyst TOSOH CORPORATION (JP) 2002-03-21 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 (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-20050187419-A1 Catalyst for trimerization of ethylene and process for trimerizing ethylene using the catalyst ACMSD, TAF9, ETV6 LTA4H 1659/4885SLC6A4 3015/4885MIF 3492/4885
US-20110224457-A1 PROCESS FOR PRODUCING ORGANOLITHIUM COMPOUND AND PROCESS FOR PRODUCING SUBSTITUTED AROMATIC COMPOUND C9, TRPA1, PKD1 LTA4H 882/4885SLC6A4 4069/4885MIF 4616/4885
US-20150025276-A1 PROCESS FOR PRODUCING ORGANOLITHIUM COMPOUND AND PROCESS FOR PRODUCING SUBSTITUTED AROMATIC COMPOUND C9, TRPA1, PKD1 LTA4H 882/4885SLC6A4 4069/4885MIF 4616/4885

“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.