SCHEMBL2454577

SCHEMBL2454577

CC(n1ccc(-c2ccccc2)n1)(n1ccc(-c2ccccc2)n1)n1ccc(-c2ccccc2)n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.59
KEAP1 Q14145 1/20 0.41
MEN1 O00255 3/20 0.38
RAB9A P51151 8/20 0.38
SMN1; SMN2 Q16637 7/20 0.38
NPC1 O15118 6/20 0.38
TP53 P04637 6/20 0.38
ALOX15 P16050 3/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
KDM4E B2RXH2 6/20 0.36
HSD17B10 Q99714 5/20 0.36
ALDH1A2 O94788 1/20 0.36
ALDH1A3 P47895 1/20 0.36
MAPT P10636 3/20 0.36
ALDH1A1 P00352 4/20 0.35
HPGD P15428 4/20 0.35

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
SCHEMBL2766733 0.93 KMT2A (0.52) KMT2AKEAP1MEN1RAB9ASMN1; SMN2
SCHEMBL13045974 0.88 KMT2A (0.59) KMT2AKEAP1MEN1RAB9ASMN1; SMN2
SCHEMBL21323197 0.85 KMT2A (0.55) KMT2AKEAP1MEN1RAB9ASMN1; SMN2
SCHEMBL28109887 0.82 KMT2A (0.55) KMT2AKEAP1MEN1RAB9ASMN1; SMN2
SCHEMBL6438456 0.80 KMT2A (0.53) KMT2AKEAP1MEN1RAB9ASMN1; SMN2
SCHEMBL28835950 0.80 KMT2A (0.53) KMT2AKEAP1MEN1RAB9ASMN1; SMN2
SCHEMBL4982785 0.80 KMT2A (0.53) KMT2AKEAP1MEN1RAB9ASMN1; SMN2
SCHEMBL5800759 0.78 KMT2A (0.52) KMT2AKEAP1MEN1RAB9ASMN1; SMN2
SCHEMBL2766839 0.77 KEAP1 (0.40) KMT2AKEAP1MEN1RAB9ASMN1; SMN2
SCHEMBL11620754 0.77 KMT2A (0.46) KMT2AMEN1RAB9ASMN1; SMN2NPC1

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 KMT2A 3321/4885KEAP1 1893/4885MEN1 1876/4885
US-20110224457-A1 PROCESS FOR PRODUCING ORGANOLITHIUM COMPOUND AND PROCESS FOR PRODUCING SUBSTITUTED AROMATIC COMPOUND C9, TRPA1, PKD1 KMT2A 4257/4885KEAP1 615/4885MEN1 955/4885
US-20150025276-A1 PROCESS FOR PRODUCING ORGANOLITHIUM COMPOUND AND PROCESS FOR PRODUCING SUBSTITUTED AROMATIC COMPOUND C9, TRPA1, PKD1 KMT2A 4257/4885KEAP1 615/4885MEN1 955/4885

“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.