SCHEMBL16144353

SCHEMBL16144353

CN(C)CC(C)(C)C(=O)OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
MAPT P10636 1/20 0.48
HPGD P15428 1/20 0.48
KMT2A Q03164 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
MAPK1 P28482 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A3 Q01959 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KCNA5 P22460 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
RIPK1 Q13546 1/20 0.43
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
CTSS P25774 1/20 0.43
CTSK P43235 1/20 0.43
MEN1 O00255 1/20 0.43

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
SCHEMBL26061113 0.83 ALDH1A1 (0.44) ALDH1A1MAPTHPGDKMT2ATDP1
SCHEMBL24704226 0.82 ALDH1A1 (0.46) ALDH1A1MAPTHPGDKMT2ATDP1
SCHEMBL28371759 0.81 ALDH1A1 (0.56) ALDH1A1KMT2ATDP1MAPK1L3MBTL1
SCHEMBL621696 0.81 ALDH1A1 (0.56) ALDH1A1MAPTHPGDKMT2ATDP1
SCHEMBL116845 0.81 ALDH1A1 (0.56) ALDH1A1MAPTKMT2ATDP1MAPK1
SCHEMBL23471254 0.81 ALDH1A1 (0.45) ALDH1A1MAPTHPGDKMT2ATDP1
SCHEMBL14350820 0.80 ALDH1A1 (0.55) ALDH1A1MAPTHPGDKMT2ATDP1
SCHEMBL19303305 0.80 ALDH1A1 (0.55) ALDH1A1MAPTHPGDKMT2ATDP1
SCHEMBL3295596 0.80 ALDH1A1 (0.55) ALDH1A1MAPTHPGDKMT2ATDP1
SCHEMBL4178872 0.80 ALDH1A1 (0.55) ALDH1A1MAPTHPGDKMT2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140296575-A1 A MULTI-BRANCHED MANNICH BASE CORROSION INHIBITOR AND PREPARATION METHOD THEREOF PETROCHINA COMPANY LIMITED (CN) 2014-10-02 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 (1 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-20140296575-A1 A MULTI-BRANCHED MANNICH BASE CORROSION INHIBITOR AND PREPARATION METHOD THEREOF KNTC1, KMT5C, KMT5B ALDH1A1 1329/4885MAPT 640/4885HPGD 4090/4885

“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.