SCHEMBL4453664

SCHEMBL4453664

CC(C)N(CC(N)c1ccccc1)C(C)C

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.47
GBA1 P04062 2/20 0.46
TAAR1 Q96RJ0 2/20 0.43
HTR2A P28223 1/20 0.43
HRH1 P35367 1/20 0.43
SCN4A P35499 2/20 0.42
ADRA2A P08913 1/20 0.42
ADRA2C P18825 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
LMNA P02545 1/20 0.42
HIF1A Q16665 1/20 0.42
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL3174209 0.82 AOC3 (0.50) AOC3GBA1TAAR1HTR2AHRH1
SCHEMBL3174219 0.82 AOC3 (0.50) AOC3GBA1TAAR1HTR2AHRH1
SCHEMBL1206311 0.78 HTR2A (0.64) AOC3GBA1HTR2AHRH1SCN4A
SCHEMBL2295530 0.78 HTR2A (0.64) AOC3GBA1HTR2AHRH1SCN4A
SCHEMBL1206312 0.78 HTR2A (0.64) AOC3GBA1HTR2AHRH1SCN4A
Hydrochloric Acid SCHEMBL20238142 0.77 TDP1 (0.65) AOC3GBA1HTR2AHRH1TDP1
Hydrochloric Acid SCHEMBL28133965 0.77 TDP1 (0.65) AOC3GBA1HTR2AHRH1TDP1
Hydrochloric Acid SCHEMBL20238217 0.77 TDP1 (0.65) AOC3GBA1HTR2AHRH1TDP1
SCHEMBL4455539 0.75 SIGMAR1 (0.48) AOC3GBA1HTR2AHRH1SCN4A
SCHEMBL13619701 0.74 TAAR1 (0.46) AOC3TAAR1SCN4AADRA2AADRA2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2966054-B1 METHOD OF PRODUCING OPTICALLY-ACTIVE ALDEHYDE TAKASAGO PERFUMERY CO LTD (JP) 2019-01-02 EP disclosed
US-10029969-B2 Method of producing optically-active aldehyde TAKASAGO INTERNATIONAL CORPORATION (JP) 2018-07-24 US disclosed
EP-1970360-B1 Method for producing alcohols TAKASAGO PERFUMERY CO LTD (JP) 2016-08-31 EP disclosed
EP-2966054-A1 METHOD OF PRODUCING OPTICALLY-ACTIVE ALDEHYDE Takasago International Corporation (JP) 2016-01-13 EP disclosed
US-20150376102-A1 METHOD OF PRODUCING OPTICALLY-ACTIVE ALDEHYDE TAKASAGO INTERNATIONAL CORPORATION (JP) 2015-12-31 US disclosed
EP-2921228-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE ISOPULEGOL AND OPTICALLY ACTIVE MENTHOL Takasago International Corporation (JP) 2015-09-23 EP disclosed
US-7569735-B2 Reducing esters or lactones with hydrogen gas in presence of ruthenium catalyst; high yield and high catalytic efficiency under an industrially advantageous condition of relatively low hydrogen pressure and low reaction temperature TAKASAGO INTERNATIONAL (JP) 2009-08-04 US disclosed
US-20080228012-A1 Reducing esters or lactones with hydrogen gas in presence of ruthenium catalyst; high yield and high catalytic efficiency under an industrially advantageous condition of relatively low hydrogen pressure and low reaction temperature TAKASAGO INTERNATIONAL CORPORATION 2008-09-18 US disclosed
EP-1970360-A1 Method for producing alcohols Takasago International Corporation (JP) 2008-09-17 EP 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-10029969-B2 Method of producing optically-active aldehyde ALDH3A1, ALDH1A2, ADH1A AOC3 67/4885GBA1 369/4885TAAR1 829/4885
US-20080228012-A1 Reducing esters or lactones with hydrogen gas in presence of ruthenium catalyst; high yield and high catalytic efficiency under an industrially advantageous condition of relatively low hydrogen pressure and low reaction temperature LPXN, LIPE, MLX AOC3 3293/4885GBA1 1542/4885TAAR1 1118/4885
US-20150376102-A1 METHOD OF PRODUCING OPTICALLY-ACTIVE ALDEHYDE ALDH3A1, ALDH1A2, ADH1A AOC3 67/4885GBA1 369/4885TAAR1 829/4885

“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.