SCHEMBL1792913

SCHEMBL1792913

CCCCCCCCCn1cccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.57
RAB9A P51151 7/20 0.57
HTT P42858 6/20 0.57
SMN1; SMN2 Q16637 4/20 0.57
LMNA P02545 3/20 0.57
MAPK1 P28482 3/20 0.57
NPSR1 Q6W5P4 3/20 0.57
HSP90AA1 P07900 3/20 0.57
GALR3 O60755 2/20 0.57
POLB P06746 2/20 0.57
ATM Q13315 2/20 0.57
APOBEC3A P31941 2/20 0.57
APOBEC3G Q9HC16 2/20 0.57
MAPT P10636 2/20 0.57
KDM4E B2RXH2 1/20 0.57
RAD52 P43351 1/20 0.57
PAX8 Q06710 1/20 0.57
NR2F2 P24468 1/20 0.57
NOD2 Q9HC29 1/20 0.57
ALDH1A1 P00352 2/20 0.54

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
SCHEMBL5604253 1.00 NPC1 (0.57) NPC1RAB9AHTTSMN1; SMN2LMNA
SCHEMBL5603811 1.00 NPC1 (0.57) NPC1RAB9AHTTSMN1; SMN2LMNA
SCHEMBL5604022 1.00 NPC1 (0.57) NPC1RAB9AHTTSMN1; SMN2LMNA
SCHEMBL562381 1.00 NPC1 (0.57) NPC1RAB9AHTTSMN1; SMN2LMNA
SCHEMBL5602339 1.00 NPC1 (0.57) NPC1RAB9AHTTSMN1; SMN2LMNA
SCHEMBL5601944 1.00 NPC1 (0.57) NPC1RAB9AHTTSMN1; SMN2LMNA
SCHEMBL5599875 1.00 NPC1 (0.57) NPC1RAB9AHTTSMN1; SMN2LMNA
SCHEMBL5601524 1.00 NPC1 (0.57) NPC1RAB9AHTTSMN1; SMN2LMNA
SCHEMBL5602162 1.00 NPC1 (0.57) NPC1RAB9AHTTSMN1; SMN2LMNA
SCHEMBL5603079 1.00 NPC1 (0.57) NPC1RAB9AHTTSMN1; SMN2LMNA

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
US-7276567-B2 Heterocyclic substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-10-02 US claimed
US-8859785-B2 Volatile group 2 metal precursors AIR PRODUCTS AND CHEMICALS, INC. (US) 2014-10-14 US disclosed
EP-2540731-A1 Volatile group 2 metal precursors Air Products and Chemicals, Inc. (US) 2013-01-02 EP disclosed
US-20110120875-A1 Volatile Group 2 Metal Precursors AIR PRODUCTS AND CHEMICALS, INC. (US) 2011-05-26 US disclosed
JP-2011001362-A VOLATILE GROUP II METAL COMPOUND PRECURSOR AIR PRODUCTS & CHEMICALS INC 2011-01-06 JP disclosed
EP-2256121-A1 Volatile group 2 metal precursors Air Products and Chemicals, Inc. (US) 2010-12-01 EP disclosed
US-7763562-B2 Heteroatom bridged metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2010-07-27 US disclosed
US-7276567-B2 Heterocyclic substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-10-02 US disclosed
US-20070135597-A1 Heteroatom bridged metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. 2007-06-14 US disclosed
US-7214746-B2 Phosphorus bridged metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-05-08 US disclosed
US-20050261449-A1 Heterocyclic substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENT INC. 2005-11-24 US disclosed
US-20050239981-A1 Phosphorus bridged metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. 2005-10-27 US disclosed
US-4220764-A Preparation of tertiary heterocyclic amines UOP INC. (US) 1980-09-02 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-20050239981-A1 Phosphorus bridged metallocene compounds for olefin polymerization PYM1, ZNF207, POLL NPC1 4195/4885RAB9A 3440/4885HTT 4838/4885
US-20110120875-A1 Volatile Group 2 Metal Precursors BST2, BMP2, CACNA1G NPC1 4138/4885RAB9A 838/4885HTT 4687/4885
US-20070135597-A1 Heteroatom bridged metallocene compounds for olefin polymerization AP2M1, AP1M1, PYM1 NPC1 4083/4885RAB9A 1848/4885HTT 3857/4885

“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.