SCHEMBL2454430

SCHEMBL2454430

Cc1cc(C)n(C(C)(n2nc(C)cc2C)n2nc(C)cc2C)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 2/20 0.45
GLA P06280 1/20 0.45
SMN1; SMN2 Q16637 5/20 0.39
KMT2A Q03164 3/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 2/20 0.39
ALOX15 P16050 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
GLS O94925 1/20 0.39
GAA P10253 1/20 0.39
TSHR P16473 6/20 0.38
MEN1 O00255 2/20 0.37
HTT P42858 2/20 0.37
HPGD P15428 1/20 0.37
LMNA P02545 1/20 0.36
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL2733622 0.85 ALDH1A1 (0.41) ALDH1A1KDM4EGLASMN1; SMN2KMT2A
SCHEMBL6903297 0.78 ALDH1A1 (0.39) ALDH1A1KDM4EGLASMN1; SMN2KMT2A
SCHEMBL3423392 0.78 KDM4E (0.39) ALDH1A1KDM4EGLASMN1; SMN2KMT2A
SCHEMBL4464474 0.78 ALDH1A1 (0.39) ALDH1A1KDM4EGLASMN1; SMN2KMT2A
SCHEMBL6453093 0.78 ALDH1A1 (0.39) ALDH1A1KDM4EGLASMN1; SMN2KMT2A
SCHEMBL18773790 0.78 ALDH1A1 (0.39) ALDH1A1KDM4EGLASMN1; SMN2KMT2A
SCHEMBL14459645 0.78 KDM4E (0.44) ALDH1A1KDM4EGLASMN1; SMN2KMT2A
SCHEMBL1120130 0.76 LMNA (0.47) ALDH1A1KDM4EKMT2ACYP1A2CYP2C9
SCHEMBL4988340 0.75 ALDH1A1 (0.41) ALDH1A1KDM4EGLAKMT2ACYP1A2
SCHEMBL27850744 0.74 LMNA (0.46) ALDH1A1KDM4EKMT2ACYP1A2CYP2C9

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-2371831-B1 PROCESS FOR PRODUCING ORGANOLITHIUM COMPOUND AND PROCESS FOR PRODUCING SUBSTITUTED AROMATIC COMPOUND NIPPON SODA CO (JP) 2016-09-07 EP disclosed
US-20160178816-A1 NEAR-INFRARED-ABSORBING COMPOSITION, NEAR-INFRARED CUT FILTER OBTAINED USING SAME, PROCESS FOR PRODUCING SAID CUT FILTER, CAMERA MODULE AND PROCESS FOR PRODUCING SAME, AND SOLID PHOTOGRAPHING ELEMENT FUJIFILM CORPORATION (JP) 2016-06-23 US 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
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
US-6337297-B1 CHROMIUM CATALYST FOR TRIMERIZATION OF ETHYLENE WITH MULTIDENTATE LIGAND OR HALOGEN, CARBOXY GROUP TOSOH CORPORATION (JP) 2002-01-08 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 ALDH1A1 2843/4885KDM4E 2297/4885GLA 4455/4885
US-20110224457-A1 PROCESS FOR PRODUCING ORGANOLITHIUM COMPOUND AND PROCESS FOR PRODUCING SUBSTITUTED AROMATIC COMPOUND C9, TRPA1, PKD1 ALDH1A1 4118/4885KDM4E 4107/4885GLA 3942/4885
US-20150025276-A1 PROCESS FOR PRODUCING ORGANOLITHIUM COMPOUND AND PROCESS FOR PRODUCING SUBSTITUTED AROMATIC COMPOUND C9, TRPA1, PKD1 ALDH1A1 4118/4885KDM4E 4107/4885GLA 3942/4885

“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.