SCHEMBL2759019

SCHEMBL2759019

OCCNc1ccc(Cc2ccc(N(CCO)CCO)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
TDP1 Q9NUW8 3/20 0.47
TSHR P16473 3/20 0.47
ADRA2A P08913 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37
CNR2 P34972 1/20 0.36
POLB P06746 2/20 0.36
RORC P51449 1/20 0.35
LMNA P02545 3/20 0.35
GAA P10253 1/20 0.35
CYP3A4 P08684 1/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
MAPT P10636 1/20 0.34
KDM4E B2RXH2 1/20 0.33
TP53 P04637 1/20 0.33
ATM Q13315 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL9022771 0.91 ALDH1A1 (0.53) ALDH1A1TDP1TSHRCNR2POLB
SCHEMBL2759026 0.84 ALDH1A1 (0.46) ALDH1A1TDP1TSHRADRA2AADRA2B
SCHEMBL423456 0.84 ADRA2A (0.43) ALDH1A1TDP1ADRA2AADRA2BADRA2C
SCHEMBL7637421 0.83 MAPT (0.52) ALDH1A1TDP1TSHRPOLBLMNA
SCHEMBL9490421 0.81 ALDH1A1 (0.43) ALDH1A1TDP1TSHRLMNAKMT2A
SCHEMBL4668959 0.77 ALDH1A1 (0.42) ALDH1A1TDP1TSHRCYP3A4MAPK1
SCHEMBL5021020 0.77 CALM1 (0.48) ALDH1A1TDP1TSHRCNR2LMNA
SCHEMBL15315297 0.77 ALDH1A1 (0.40) ALDH1A1TDP1TSHRADRA2AADRA2B
SCHEMBL484008 0.77 TDP1 (0.40) ALDH1A1TDP1TSHRADRA2APOLB
SCHEMBL2759017 0.76 KMT2A (0.59) ALDH1A1TDP1TSHRCNR2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140296343-A1 NON-PEPTIDE BDNF NEUROTROPHIN MIMETICS PHARMATROPHIX, INC. 2014-10-02 US disclosed
US-20140296343-A1 NON-PEPTIDE BDNF NEUROTROPHIN MIMETICS PHARMATROPHIX, INC. 2014-10-02 US disclosed
US-20120004310-A1 NON-PEPTIDE BDNF NEUROTROPHIN MIMETICS PHARMATROPHIX, INC. 2012-01-05 US disclosed
US-20120004310-A1 NON-PEPTIDE BDNF NEUROTROPHIN MIMETICS PHARMATROPHIX, INC. 2012-01-05 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-20120004310-A1 NON-PEPTIDE BDNF NEUROTROPHIN MIMETICS BDNF, NTRK2, NGF ALDH1A1 4203/4885TDP1 1015/4885TSHR 199/4885
US-20140296343-A1 NON-PEPTIDE BDNF NEUROTROPHIN MIMETICS BDNF, NTRK2, NGF ALDH1A1 4203/4885TDP1 1015/4885TSHR 199/4885

“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.