SCHEMBL4985181

SCHEMBL4985181

COc1ccc(Cc2cc(C)n(C(n3nc(Cc4ccc(OC)cc4)cc3C)n3nc(Cc4ccc(OC)cc4)cc3C)n2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALOX15 P16050 1/20 0.42
LTA4H P09960 1/20 0.42
HPGD P15428 3/20 0.41
USP2 O75604 2/20 0.41
TSHR P16473 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HSD17B10 Q99714 2/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
LMNA P02545 2/20 0.40
HSP90AA1 P07900 1/20 0.40
NTSR1 P30989 1/20 0.40
SLC6A4 P31645 1/20 0.40
SIRT1 Q96EB6 1/20 0.40
MIF P14174 1/20 0.40
PDE1A P54750 1/20 0.40
PDE1B Q01064 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
SCHEMBL29535792 0.77 SMN1; SMN2 (0.46) ALDH1A1MAPTKDM4EHPGDSMN1; SMN2
SCHEMBL4985175 0.73 NPC1 (0.54) ALDH1A1MAPTKDM4EHPGDTSHR
SCHEMBL2454827 0.73 LTA4H (0.46) ALDH1A1MAPTKDM4EALOX15LTA4H
SCHEMBL29936980 0.69 MAPT (0.46) ALDH1A1MAPTKDM4EALOX15LTA4H
SCHEMBL25719809 0.68 LTA4H (0.47) ALDH1A1LTA4HHPGDSMN1; SMN2LMNA
SCHEMBL27884 0.68 LTA4H (0.81) ALDH1A1ALOX15LTA4HTSHRSMN1; SMN2
SCHEMBL1425001 0.68 LTA4H (0.81) ALDH1A1ALOX15LTA4HTSHRSMN1; SMN2
SCHEMBL25986524 0.68 LTA4H (0.81) ALDH1A1ALOX15LTA4HTSHRSMN1; SMN2
SCHEMBL30617050 0.67 LTA4H (0.59) ALDH1A1MAPTKDM4EALOX15LTA4H
SCHEMBL28444605 0.67 LTA4H (0.46) ALDH1A1MAPTLTA4HSMN1; SMN2NPSR1

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 ALDH1A1 2843/4885MAPT 3735/4885KDM4E 2297/4885
US-20150025276-A1 PROCESS FOR PRODUCING ORGANOLITHIUM COMPOUND AND PROCESS FOR PRODUCING SUBSTITUTED AROMATIC COMPOUND C9, TRPA1, PKD1 ALDH1A1 4118/4885MAPT 2105/4885KDM4E 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.