SCHEMBL20871191

SCHEMBL20871191

C=CCN(Cc1ccc(OC)cc1)C(C)CCC

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.45
ALDH1A1 P00352 2/20 0.45
TSHR P16473 2/20 0.45
TP53 P04637 1/20 0.45
CYP3A4 P08684 1/20 0.45
ALOX15 P16050 1/20 0.45
ALOX12 P18054 1/20 0.45
APLNR P35414 2/20 0.43
BCHE P06276 2/20 0.41
HTT P42858 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
POLB P06746 1/20 0.38
SLC6A4 P31645 1/20 0.37
BCL2A1 Q16548 3/20 0.37
PYCR1 P32322 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL20871413 0.89 ALDH1A1 (0.47) SMN1; SMN2ALDH1A1TSHRTP53CYP3A4
SCHEMBL29335401 0.85 BCHE (0.45) SMN1; SMN2ALDH1A1TSHRTP53CYP3A4
SCHEMBL20871179 0.84 CNR2 (0.40) ALDH1A1BCHESLC6A4PYCR1
SCHEMBL20871275 0.84 APLNR (0.53) SMN1; SMN2ALDH1A1TSHRTP53CYP3A4
SCHEMBL20871173 0.83 PYCR1 (0.54) ALDH1A1TSHRBCHEL3MBTL1PYCR1
SCHEMBL22340945 0.82 BCHE (0.56) SMN1; SMN2APLNRBCHEHTTL3MBTL1
SCHEMBL22340949 0.76 BCHE (0.62) SMN1; SMN2ALDH1A1TSHRCYP3A4ALOX15
SCHEMBL13286274 0.75 BCHE (0.46) ALDH1A1TSHRBCHETDP1
SCHEMBL20871412 0.74 HTT (0.42) SMN1; SMN2ALDH1A1APLNRHTTL3MBTL1
SCHEMBL20871187 0.74 ALDH1A1 (0.50) SMN1; SMN2ALDH1A1TSHRTP53CYP3A4

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
EP-3707132-B1 NEW METHOD FOR THE SYNTHESIS OF UNSYMMETRICAL TERTIARY AMINES UNIV PARIS SACLAY (FR) 2024-07-17 EP disclosed
US-11034646-B2 Method for the synthesis of unsymmetrical tertiary amines Universite Paris-Saclay (FR) 2021-06-15 US disclosed
US-20200255369-A1 NEW METHOD FOR THE SYNTHESIS OF UNSYMMETRICAL TERTIARY AMINES Universite Paris-Saclay (FR) 2020-08-13 US disclosed
WO-2019063952-A1 NEW METHOD FOR THE SYNTHESIS OF UNSYMMETRICAL TERTIARY AMINES UNIVERSITE PARIS-SUD (FR) 2019-04-04 WO 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-20200255369-A1 NEW METHOD FOR THE SYNTHESIS OF UNSYMMETRICAL TERTIARY AMINES ADH1C, ADH1A, ADH5 SMN1; SMN2 2857/4885ALDH1A1 179/4885TSHR 1107/4885
US-11034646-B2 Method for the synthesis of unsymmetrical tertiary amines ADH1C, PNMT, ADH1A SMN1; SMN2 2752/4885ALDH1A1 182/4885TSHR 1103/4885

“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.