SCHEMBL40610

SCHEMBL40610

Nc1ccc(CC2CCC(N)CC2)cc1Cc1ccc(N)c(CC2CCC(N)CC2)c1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL29398175 0.94 IDO1 (0.32)
SCHEMBL40067 0.94 IDO1 (0.32)
SCHEMBL14996010 0.93
SCHEMBL14996205 0.91 PIK3C3 (0.31)
SCHEMBL10943037 0.83 ALDH1A1 (0.36) POLBMAPTALDH1A1
SCHEMBL8977699 0.81 CXCR4 (0.34)
SCHEMBL21339722 0.80 SLC6A4 (0.32) MEN1GAAKMT2A
SCHEMBL21339723 0.80 SLC6A4 (0.32) MEN1GAAKMT2A
SCHEMBL10805069 0.76 SKP2 (0.45) CYP3A4KDM4EGAAMAPTALDH1A1
SCHEMBL9910784 0.76 ALDH1A1 (0.40) POLBMAPTALDH1A1

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8372999-B2 Organically modified silica and use thereof NALCO COMPANY (US) 2013-02-12 US disclosed
US-8372999-B2 Organically modified silica and use thereof NALCO COMPANY (US) 2013-02-12 US disclosed
EP-1807479-B1 SHALE HYDRATION INHIBITION AGENT AND METHOD OF USE MI LLC (US) 2012-08-22 EP disclosed
US-20120125233-A1 ORGANICALLY MODIFIED SILICA AND USE THEREOF NALCO COMPANY 2012-05-24 US disclosed
US-20120125233-A1 ORGANICALLY MODIFIED SILICA AND USE THEREOF NALCO COMPANY 2012-05-24 US disclosed
US-8106229-B2 Organically modifid silica and use thereof NALCO COMPANY (US) 2012-01-31 US disclosed
US-8106229-B2 Organically modifid silica and use thereof NALCO COMPANY (US) 2012-01-31 US disclosed
US-20110067599-A1 WATER DISPERSIBLE SILANES AS CORROSION-PROTECTION COATINGS AND PAINT PRIMERS FOR METAL PRETREATMENT NALCO COMPANY 2011-03-24 US disclosed
US-20110067599-A1 WATER DISPERSIBLE SILANES AS CORROSION-PROTECTION COATINGS AND PAINT PRIMERS FOR METAL PRETREATMENT NALCO COMPANY 2011-03-24 US disclosed
US-7862862-B2 Water dispersible silanes as corrosion-protection coatings and paint primers for metal pretreatment NALCO COMPANY (US) 2011-01-04 US disclosed
US-7514392-B2 Shale hydration inhibition agent and method of use M-I L.L.C. (US) 2009-04-07 US disclosed
US-7514392-B2 Shale hydration inhibition agent and method of use M-I L.L.C. (US) 2009-04-07 US disclosed
US-7494958-B2 Shale hydration inhibition agent and method of use M-I L.L.C. (US) 2009-02-24 US disclosed
US-7494958-B2 Shale hydration inhibition agent and method of use M-I L.L.C. (US) 2009-02-24 US disclosed
WO-2007143416-A2 ORGANICALLY MODIFIED SILICA AND USE THEREOF NALCO COMPANY (US) 2007-12-13 WO disclosed
US-20070282122-A1 Organically modifid silica and use thereof ECOLAB USA INC. 2007-12-06 US disclosed
US-20070282122-A1 Organically modifid silica and use thereof ECOLAB USA INC. 2007-12-06 US disclosed
WO-2007106214-A2 WATER DISPERSIBLE SILANES AS CORROSION-PROTECTION COATINGS AND PAINT PRIMERS FOR METAL PRETREATMENT NALCO COMPANY (US) 2007-09-20 WO disclosed
US-20070166467-A1 Water dispersible silanes as corrosion-protection coatings and paint primers for metal pretreatment ECOLAB USA INC. 2007-07-19 US disclosed
US-20070166467-A1 Water dispersible silanes as corrosion-protection coatings and paint primers for metal pretreatment ECOLAB USA INC. 2007-07-19 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-20070282122-A1 Organically modifid silica and use thereof SOST, SORD, POF1B CYP3A4 2064/4885KDM4E 2811/4885MEN1 711/4885
US-20110067599-A1 WATER DISPERSIBLE SILANES AS CORROSION-PROTECTION COATINGS AND PAINT PRIMERS FOR METAL PRETREATMENT DNMT1, POLH, POLB CYP3A4 3872/4885KDM4E 3656/4885MEN1 3300/4885

“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.