SCHEMBL2454595

SCHEMBL2454595

Cc1ccc(-c2cc(C)n(C(n3nc(-c4ccc(C)cc4)cc3C)n3nc(-c4ccc(C)cc4)cc3C)n2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 9/20 0.49
NPC1 O15118 8/20 0.49
RAB9A P51151 8/20 0.49
ALDH1A1 P00352 7/20 0.49
KDM4E B2RXH2 6/20 0.49
MEN1 O00255 7/20 0.46
KMT2A Q03164 7/20 0.46
MAPT P10636 6/20 0.46
TP53 P04637 3/20 0.46
CYP2C19 P33261 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
LMNA P02545 4/20 0.44
PTGS2 P35354 4/20 0.43
STAT1 P42224 1/20 0.42
TSHR P16473 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40

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
SCHEMBL2765541 0.93 SMN1; SMN2 (0.44) SMN1; SMN2NPC1RAB9AALDH1A1KDM4E
SCHEMBL2458919 0.85 RAB9A (0.49) SMN1; SMN2NPC1RAB9AALDH1A1KDM4E
SCHEMBL2454381 0.83 DYRK1A (0.39) SMN1; SMN2NPC1RAB9AKDM4EMAPT
SCHEMBL2766524 0.79 RAB9A (0.44) SMN1; SMN2NPC1RAB9AALDH1A1KDM4E
Butadiene SCHEMBL2766054 0.76 RAB9A (0.42) SMN1; SMN2NPC1RAB9AALDH1A1KDM4E
SCHEMBL14996633 0.76 SMN1; SMN2 (0.51) SMN1; SMN2NPC1RAB9AALDH1A1KDM4E
SCHEMBL2460517 0.74 CYP2A6 (0.53) ALDH1A1KDM4EMAPTCYP2C19CYP1A2
SCHEMBL23400414 0.73 NPC1 (0.42) SMN1; SMN2NPC1RAB9AALDH1A1KDM4E
SCHEMBL14996561 0.73 NPC1 (0.50) SMN1; SMN2NPC1RAB9AALDH1A1KDM4E
SCHEMBL10103967 0.73 SMN1; SMN2 (0.58) SMN1; SMN2NPC1RAB9AALDH1A1KDM4E

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 SMN1; SMN2 3774/4885NPC1 3818/4885RAB9A 4100/4885
US-20110224457-A1 PROCESS FOR PRODUCING ORGANOLITHIUM COMPOUND AND PROCESS FOR PRODUCING SUBSTITUTED AROMATIC COMPOUND C9, TRPA1, PKD1 SMN1; SMN2 4349/4885NPC1 382/4885RAB9A 2993/4885
US-20150025276-A1 PROCESS FOR PRODUCING ORGANOLITHIUM COMPOUND AND PROCESS FOR PRODUCING SUBSTITUTED AROMATIC COMPOUND C9, TRPA1, PKD1 SMN1; SMN2 4349/4885NPC1 382/4885RAB9A 2993/4885

“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.