SCHEMBL22340952

SCHEMBL22340952

CCCC(C)N(Cc1ccc(-c2ccccc2)cc1)c1ccc(OC)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.44
UBE2M P61081 2/20 0.43
DCUN1D1 Q96GG9 2/20 0.43
LTB4R2 Q9NPC1 1/20 0.42
CNR1 P21554 2/20 0.41
CNR2 P34972 2/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
LTA4H P09960 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
PTPN22 Q9Y2R2 1/20 0.39
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
MAPT P10636 1/20 0.38

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
SCHEMBL20871412 0.91 HTT (0.42) CNR1CNR2TAAR1
SCHEMBL22340670 0.90 CYP19A1 (0.46) CYP19A1LTB4R2CNR1CNR2KMT2A
SCHEMBL20871164 0.85 CNR1 (0.45) CNR1CNR2KMT2AMEN1TAAR1
SCHEMBL22340948 0.85 CNR1 (0.45) CNR1CNR2KMT2AMEN1TAAR1
SCHEMBL29335351 0.85 CYP19A1 (0.49) CYP19A1CNR1CNR2KMT2ANPC1
SCHEMBL22340961 0.84 APP (0.44) CNR1CNR2TAAR1
SCHEMBL22340950 0.84 KMT2A (0.45) CNR1CNR2KMT2AMEN1TAAR1
SCHEMBL22340951 0.84 BCL2A1 (0.47) CNR2KMT2AMEN1TAAR1TDP1
SCHEMBL29336228 0.84 KMT2A (0.41) KMT2AMEN1NPC1RAB9ATAAR1
SCHEMBL22340943 0.82 QPCT (0.45) KMT2AMEN1TAAR1

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 3 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

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 CYP19A1 1342/4885UBE2M 1140/4885DCUN1D1 1770/4885
US-11034646-B2 Method for the synthesis of unsymmetrical tertiary amines ADH1C, PNMT, ADH1A CYP19A1 1289/4885UBE2M 1057/4885DCUN1D1 1778/4885

“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.