SCHEMBL1933552

SCHEMBL1933552

c1ccc(N(c2ccccc2)N2CCCCC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
POLB P06746 1/20 0.42
KCNH2 Q12809 5/20 0.40
CYP1A2 P05177 4/20 0.40
CYP3A4 P08684 4/20 0.40
CYP2D6 P10635 4/20 0.40
CYP2C9 P11712 4/20 0.40
KCNA5 P22460 4/20 0.40
CYP2C19 P33261 4/20 0.40
HPGD P15428 3/20 0.40
ATM Q13315 2/20 0.40
HSP90AA1 P07900 1/20 0.40
XBP1 P17861 1/20 0.40
ALOX12 P18054 1/20 0.40
HTT P42858 1/20 0.40
RUNX1 Q01196 1/20 0.40
CBFB Q13951 1/20 0.40
KCNE1 P15382 1/20 0.40
KDM4E B2RXH2 2/20 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
SCHEMBL27544631 0.98 HPGD (0.41) ALDH1A1SMN1; SMN2POLBKCNH2CYP1A2
SCHEMBL6734448 0.88 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2POLBKCNH2HPGD
SCHEMBL11820260 0.87 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2POLBCYP1A2CYP3A4
SCHEMBL4762902 0.80 UTS2R (0.39) SMN1; SMN2POLBCYP3A4CYP2D6HPGD
SCHEMBL473405 0.77 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2POLBKCNH2CYP1A2
SCHEMBL4991499 0.77 SMN1; SMN2 (0.41) ALDH1A1SMN1; SMN2POLBKCNH2CYP1A2
SCHEMBL9864709 0.74 CTSK (0.38) ALDH1A1SMN1; SMN2POLBKCNH2CYP1A2
SCHEMBL11035980 0.74 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2POLBKCNH2CYP1A2
SCHEMBL27418984 0.73 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2POLBKCNH2CYP1A2
SCHEMBL4142245 0.73 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2POLBHPGDHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130299390-A1 DEMULSIFYING COMPOSITIONS AND METHODS FOR SEPARATING EMULSIONS USING THE SAME MOMENTIVE PERFORMANCE MATERIALS INC. 2013-11-14 US disclosed
EP-2589617-A2 Non-crosslinked reaction product of an epoxy or oxetane compound and an amino siloxane Momentive Performance Materials Inc. (US) 2013-05-08 EP disclosed
EP-2507292-A1 NON-CROSSLINKED REACTION PRODUCT OF AN EPOXY OR OXETANE COMPOUND AND AN AMINO SILOXANE Momentive Performance Materials Inc. (US) 2012-10-10 EP disclosed
EP-2507291-A1 DEMULSIFYING COMPOSITIONS AND METHODS FOR SEPARATING EMULSIONS USING THE SAME Momentive Performance Materials Inc. (US) 2012-10-10 EP disclosed
WO-2011065956-A1 NON-CROSSLINKED REACTION PRODUCT OF AN EPOXY OR OXETANE COMPOUND AND AN AMINO SILOXANE MOMENTIVE PERFORMANCE MATERIALS INC. (US) 2011-06-03 WO disclosed
WO-2011065955-A1 DEMULSIFYING COMPOSITIONS AND METHODS FOR SEPARATING EMULSIONS USING THE SAME MOMENTIVE PERFORMANCE MATERIALS INC. (US) 2011-06-03 WO disclosed
US-20110130536-A1 COPOLYMERS OF EPOXY COMPOUNDS AND AMINO SILICONES AND COMPOSITIONS COMPRISING THE SAME MOMENTIVE PERFORMANCE MATERIALS INC. (US) 2011-06-02 US disclosed
US-20110127195-A1 DEMULSIFYING COMPOSITIONS AND METHODS FOR SEPARATING EMULSIONS USING THE SAME MOMENTIVE PERFORMANCE MATERIALS INC. (US) 2011-06-02 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 (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-20110130536-A1 COPOLYMERS OF EPOXY COMPOUNDS AND AMINO SILICONES AND COMPOSITIONS COMPRISING THE SAME SRM, SMS, ODC1 ALDH1A1 2255/4885SMN1; SMN2 1021/4885POLB 1717/4885
US-20110127195-A1 DEMULSIFYING COMPOSITIONS AND METHODS FOR SEPARATING EMULSIONS USING THE SAME SRM, SMOX, ODC1 ALDH1A1 1590/4885SMN1; SMN2 1560/4885POLB 485/4885

“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.