SCHEMBL4446181

SCHEMBL4446181

COC(=O)c1cccc(C(C)CN)c1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 2/20 0.62
SLC7A5 Q01650 1/20 0.54
CYP4F2 P78329 2/20 0.53
CYP4A11 Q02928 2/20 0.53
PARP1 P09874 1/20 0.50
POLB P06746 1/20 0.48
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
ALDH1A1 P00352 1/20 0.47
CASR P41180 1/20 0.46
LOX P28300 1/20 0.46
TAAR1 Q96RJ0 2/20 0.46
TSHR P16473 1/20 0.46
PTGS1 P23219 1/20 0.46
PTGS2 P35354 1/20 0.46
TCF4 P15884 1/20 0.45
CTNNB1 P35222 1/20 0.45

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
SCHEMBL1787505 0.86 HDAC4 (0.51) LOXL2SLC7A5CYP4F2CYP4A11PARP1
SCHEMBL28346938 0.86 HDAC4 (0.51) LOXL2SLC7A5CYP4F2CYP4A11PARP1
SCHEMBL15671512 0.84 LOXL2 (0.58) LOXL2SLC7A5CYP4F2CYP4A11POLB
SCHEMBL6330723 0.84 LOXL2 (0.58) LOXL2SLC7A5CYP4F2CYP4A11PARP1
SCHEMBL18638708 0.83 PARP1 (0.49) LOXL2SLC7A5CYP4F2CYP4A11PARP1
SCHEMBL3475787 0.82 LOXL2 (0.54) LOXL2SLC7A5CYP4F2CYP4A11POLB
SCHEMBL14551931 0.82 LOXL2 (0.54) LOXL2SLC7A5CYP4F2CYP4A11POLB
SCHEMBL4752633 0.82 ANPEP (0.58) PARP1CA1CA2CA9ALDH1A1
SCHEMBL29779050 0.82 LOXL2 (0.54) LOXL2SLC7A5CYP4F2CYP4A11POLB
SCHEMBL14561093 0.82 LOXL2 (0.54) LOXL2SLC7A5CYP4F2CYP4A11POLB

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-20090275583-A1 ANTIVIRAL COMPOUNDS AND USE THEREOF MYRIAD GENETICS, INCORPORATED (US) 2009-11-05 US disclosed
WO-2008135526-A1 CARBOXYLIC ACID AMIDES AS FACTOR XA INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-11-13 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 (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-20090275583-A1 ANTIVIRAL COMPOUNDS AND USE THEREOF MAVS, ZC3HAV1, EIF2AK2 LOXL2 4050/4885SLC7A5 2550/4885CYP4F2 3246/4885

“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.