SCHEMBL22340948

SCHEMBL22340948

CCCC(C)N(Cc1ccc(OC)cc1)c1ccc(C)cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.45
CNR2 P34972 1/20 0.45
ALDH1A1 P00352 3/20 0.42
LMNA P02545 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ACHE P22303 1/20 0.42
TSPO P30536 1/20 0.40
TAAR1 Q96RJ0 1/20 0.39
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAPT P10636 1/20 0.38
APLNR P35414 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
SLC6A4 P31645 1/20 0.37
UTS2R Q9UKP6 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL20871164 1.00 CNR1 (0.45) CNR1CNR2ALDH1A1LMNANPSR1
SCHEMBL20871412 0.94 HTT (0.42) CNR1CNR2ALDH1A1TAAR1HTT
SCHEMBL22340664 0.89 CNR1 (0.47) CNR1CNR2ALDH1A1LMNANPSR1
SCHEMBL20871404 0.89 CNR1 (0.47) CNR1CNR2ALDH1A1LMNANPSR1
SCHEMBL22340961 0.88 APP (0.44) CNR1CNR2ALDH1A1TAAR1HTT
SCHEMBL22340951 0.88 BCL2A1 (0.47) CNR2ALDH1A1LMNANPSR1TAAR1
SCHEMBL22340950 0.88 KMT2A (0.45) CNR1CNR2ALDH1A1LMNANPSR1
SCHEMBL29336228 0.88 KMT2A (0.41) ALDH1A1LMNANPSR1TAAR1HTT
SCHEMBL22340952 0.85 CYP19A1 (0.44) CNR1CNR2ACHETAAR1MAPT
SCHEMBL22340943 0.85 QPCT (0.45) TAAR1HTTSMN1; SMN2APLNRSLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 CNR1 1297/4885CNR2 1633/4885ALDH1A1 179/4885
US-11034646-B2 Method for the synthesis of unsymmetrical tertiary amines ADH1C, PNMT, ADH1A CNR1 1767/4885CNR2 2182/4885ALDH1A1 182/4885

“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.