SCHEMBL4985175

SCHEMBL4985175

COc1ccc(-c2cc(C)n(C(n3nc(-c4ccc(OC)cc4)cc3C)n3nc(-c4ccc(OC)cc4)cc3C)n2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.54
RAB9A P51151 9/20 0.54
KDM4E B2RXH2 6/20 0.54
ALDH1A1 P00352 5/20 0.54
HPGD P15428 5/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
MAPT P10636 4/20 0.54
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
ATM Q13315 1/20 0.49
PKM P14618 2/20 0.48
CDK5 Q00535 1/20 0.48
CDK5R1 Q15078 1/20 0.48
HSD17B10 Q99714 3/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
TSHR P16473 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL2458618 0.87 MAPT (0.46) NPC1RAB9AKDM4EALDH1A1HPGD
SCHEMBL2454595 0.82 SMN1; SMN2 (0.49) NPC1RAB9AKDM4EALDH1A1HPGD
SCHEMBL2458919 0.79 RAB9A (0.49) NPC1RAB9AKDM4EALDH1A1HPGD
SCHEMBL2765541 0.77 SMN1; SMN2 (0.44) NPC1RAB9AKDM4EALDH1A1HPGD
SCHEMBL2766524 0.73 RAB9A (0.44) NPC1RAB9AKDM4EALDH1A1HPGD
SCHEMBL4985181 0.73 ALDH1A1 (0.42) KDM4EALDH1A1HPGDSMN1; SMN2MAPT
SCHEMBL14557169 0.72 RAB9A (0.59) NPC1RAB9AKDM4EALDH1A1HPGD
Butadiene SCHEMBL2766054 0.71 RAB9A (0.42) NPC1RAB9AKDM4EALDH1A1HPGD
SCHEMBL28109710 0.71 PTGS2 (0.60) NPC1RAB9AKDM4EALDH1A1HPGD
SCHEMBL17279989 0.71 TDP1 (0.44) NPC1RAB9AKDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 (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-20050187419-A1 Catalyst for trimerization of ethylene and process for trimerizing ethylene using the catalyst ACMSD, TAF9, ETV6 NPC1 3818/4885RAB9A 4100/4885KDM4E 2297/4885
US-20150025276-A1 PROCESS FOR PRODUCING ORGANOLITHIUM COMPOUND AND PROCESS FOR PRODUCING SUBSTITUTED AROMATIC COMPOUND C9, TRPA1, PKD1 NPC1 382/4885RAB9A 2993/4885KDM4E 4107/4885

“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.