SCHEMBL4447839

SCHEMBL4447839

C[C@H](NCc1ccc(OCc2ccccc2)cc1)c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BCHE P06276 4/20 0.66
SMN1; SMN2 Q16637 1/20 0.60
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
POLB P06746 1/20 0.60
MAPK1 P28482 1/20 0.60
NPSR1 Q6W5P4 1/20 0.60
CASR P41180 2/20 0.57
L3MBTL1 Q9Y468 1/20 0.55
TDP1 Q9NUW8 1/20 0.54

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
SCHEMBL5245493 1.00 BCHE (0.66) BCHESMN1; SMN2MEN1KMT2APOLB
SCHEMBL5273201 0.93 BCHE (0.61) BCHESMN1; SMN2MEN1KMT2APOLB
SCHEMBL5267369 0.92 BCHE (0.60) BCHESMN1; SMN2MEN1KMT2APOLB
SCHEMBL5268399 0.92 SMN1; SMN2 (0.67) BCHESMN1; SMN2MEN1KMT2APOLB
SCHEMBL5266725 0.90 BCHE (0.59) BCHESMN1; SMN2MEN1KMT2APOLB
SCHEMBL5274105 0.90 MEN1 (0.67) BCHESMN1; SMN2MEN1KMT2APOLB
SCHEMBL5270611 0.90 BCHE (0.59) BCHESMN1; SMN2MEN1KMT2APOLB
SCHEMBL5274134 0.87 MEN1 (0.60) BCHEMEN1KMT2APOLBMAPK1
SCHEMBL7520551 0.87 MEN1 (0.63) BCHEMEN1KMT2APOLBMAPK1
SCHEMBL5271408 0.87 MAOB (0.58) BCHEMEN1KMT2APOLBMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090253932-A1 Resolution of Racemic Organic Acids with (1S, 4S)-4[3,4-Dichlorophenyl]-1,2,3,4-Tetrahydro-N-Methyl-1-Naphthaloneamine MATRIX LABORATORIES LTD (IN) 2009-10-08 US disclosed
EP-1831132-A2 RESOLUTION OF RACEMIC ORGANIC ACIDS WITH (1S, 4S)-4[3,4-DICHLOROPHENYL]-1,2,3,4- TETRAHYDRO-N-METHYL-1-NAPHTHALONEAMINE Matrix Laboratories Ltd (IN) 2007-09-12 EP disclosed
WO-2006013581-A2 RESOLUTION OF RACEMIC ORGANIC ACIDS WITH (1S, 4S)-4[3,4-DICHLOROPHENYL]-1,2,3,4- TETRAHYDRO-N-METHYL-1-NAPHTHALONEAMINE MATRIX LABORATORIES LTD (IN) 2006-02-09 WO disclosed
US-6894190-B2 Process for producing optically active 3,3,3-trifluoro-2-hydroxy-2-methylpropionic acid, and salt thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-05-17 US disclosed
US-6653507-B2 Useful intermediate compound of pharmaceuticals for urinary incontinence SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-11-25 US disclosed
US-20020143212-A1 Process for producing optically active 3,3,3-trifluoro-2-hydroxy-2-methylpropionic acid, and salt thereof SUMITOMO CHEMICAL COMPANY, LIMITED 2002-10-03 US disclosed
EP-1074539-A2 Process for producing optically active 3,3,3,-trifluoro-2-hydroxy-2-methylpropionic acid, and salt thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-02-07 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 (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-20090253932-A1 Resolution of Racemic Organic Acids with (1S, 4S)-4[3,4-Dichlorophenyl]-1,2,3,4-Tetrahydro-N-Methyl-1-Naphthaloneamine HTR4, OXER1, CYP2S1 BCHE 2776/4885SMN1; SMN2 3490/4885MEN1 1897/4885
US-20020143212-A1 Process for producing optically active 3,3,3-trifluoro-2-hydroxy-2-methylpropionic acid, and salt thereof ALDH1A2, ALDH7A1, ALDH18A1 BCHE 2684/4885SMN1; SMN2 913/4885MEN1 467/4885

“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.