SCHEMBL13623707

SCHEMBL13623707

COc1ccc(C[C@H](C)CCl)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.60
CYP1A2 P05177 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C19 P33261 1/20 0.52
LDHA P00338 1/20 0.52
IDO1 P14902 2/20 0.47
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
ALOX15 P16050 1/20 0.44
CMA1 P23946 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
AGXT P21549 1/20 0.44
LTA4H P09960 1/20 0.44

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
SCHEMBL21323940 0.82 SLC6A4 (0.62) SLC6A4CYP1A2CYP2D6CYP2C19LDHA
SCHEMBL13623704 0.82 SLC6A4 (0.62) SLC6A4CYP1A2CYP2D6CYP2C19LDHA
SCHEMBL6017470 0.82 SLC6A4 (0.62) SLC6A4CYP1A2CYP2D6CYP2C19LDHA
SCHEMBL7976221 0.80 SLC6A4 (0.60) SLC6A4CYP1A2CYP2D6CYP2C19LDHA
SCHEMBL28351383 0.80 SLC6A4 (0.60) SLC6A4CYP1A2CYP2D6CYP2C19LDHA
SCHEMBL8283102 0.80 SLC6A4 (0.60) SLC6A4CYP1A2CYP2D6CYP2C19LDHA
SCHEMBL8983553 0.80 SLC6A4 (0.60) SLC6A4CYP1A2CYP2D6CYP2C19LDHA
SCHEMBL11446097 0.79 LTA4H (0.48) LTA4H
SCHEMBL2334890 0.79 SLC6A4 (0.64) SLC6A4CYP1A2CYP2D6CYP2C19LDHA
SCHEMBL104850 0.79 SLC6A4 (0.69) SLC6A4CYP1A2CYP2D6CYP2C19LDHA

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-7619116-B2 Intermediates for the synthesis of (R)-tamsulosin and of its pharmaceutically acceptable salts and process for their preparation Products Chimiques Auxiliaires Et de Synthese (FR) 2009-11-17 US disclosed
US-20070106079-A1 Novel intermediates for the synthesis of (r)-tamsulosin and of its pharmaceutically acceptable salts and process for their preparation PRODUITS CHIMIQUES AUXILIAIRES ET DE SYNTHESE (FR) 2007-05-10 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 (1 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-20070106079-A1 Novel intermediates for the synthesis of (r)-tamsulosin and of its pharmaceutically acceptable salts and process for their preparation ADRB1, AVPR2, ADRA1A SLC6A4 421/4885CYP1A2 392/4885CYP2D6 388/4885

“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.