SCHEMBL753112

SCHEMBL753112

CN(C)Cc1ccccc1CC(=O)O

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 2/20 0.55
TDP1 Q9NUW8 1/20 0.48
SLC6A2 P23975 3/20 0.46
SLC6A4 P31645 3/20 0.46
ALDH1A1 P00352 2/20 0.45
TSHR P16473 1/20 0.45
PTGS2 P35354 1/20 0.44
BCAT2 O15382 1/20 0.43
SLC6A3 Q01959 2/20 0.43
CXCL8 P10145 3/20 0.42

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
SCHEMBL890118 0.84 L3MBTL1 (0.46) TDP1SLC6A2SLC6A4ALDH1A1TSHR
Methyl Alcohol SCHEMBL28299530 0.83 AKR1B1 (0.70) AKR1B1TDP1TSHRPTGS2BCAT2
SCHEMBL30359 0.82 AKR1B1 (0.76) AKR1B1TDP1TSHRPTGS2BCAT2
SCHEMBL29410826 0.82 AKR1B1 (0.76) AKR1B1TDP1TSHRPTGS2BCAT2
SCHEMBL12147892 0.81 KEAP1 (0.48) SLC6A2SLC6A4ALDH1A1TSHRSLC6A3
SCHEMBL8915286 0.81 SLC6A2 (0.41) SLC6A2SLC6A4ALDH1A1TSHRSLC6A3
SCHEMBL888636 0.81 CYP1A2 (0.42) SLC6A2SLC6A4ALDH1A1TSHRSLC6A3
SCHEMBL13087715 0.80 AKR1B1 (0.47) AKR1B1TDP1ALDH1A1TSHRPTGS2
Hydrochloric Acid SCHEMBL6767821 0.80 AKR1B1 (0.73) AKR1B1TDP1TSHRPTGS2BCAT2
Iodide SCHEMBL31305035 0.80 AKR1B1 (0.73) AKR1B1TDP1TSHRPTGS2BCAT2

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 191 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170355689-A1 HEPATITIS C VIRUS INHIBITOR BRISTOL MYERS SQUIBB CO (US) 2017-12-14 US disclosed
US-20170355689-A1 HEPATITIS C VIRUS INHIBITOR BRISTOL MYERS SQUIBB CO (US) 2017-12-14 US disclosed
US-20170320833-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-11-09 US disclosed
US-20170320833-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-11-09 US disclosed
EP-2601188-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-10-18 EP disclosed
US-9776981-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-10-03 US disclosed
US-9776981-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-10-03 US disclosed
US-9758487-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-12 US disclosed
US-9758487-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-12 US disclosed
EP-2328865-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-05-31 EP disclosed
WO-2008144380-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-27 WO disclosed
US-20080050336-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-02-28 US disclosed
US-20080050336-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-02-28 US disclosed
WO-2008021936-A2 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-02-21 WO disclosed
WO-2008021928-A2 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-02-21 WO disclosed
WO-2008021927-A2 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-02-21 WO disclosed
US-20080044379-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-02-21 US disclosed
US-20080044379-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-02-21 US disclosed
US-20080044380-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-02-21 US disclosed
US-20080044380-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-02-21 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 (5 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-20170355689-A1 HEPATITIS C VIRUS INHIBITOR HAVCR2, LIPC, PYGL AKR1B1 2480/4885TDP1 3404/4885SLC6A2 3939/4885
US-20080050336-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS AKR1B1 2558/4885TDP1 3331/4885SLC6A2 3918/4885
US-20080044379-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS AKR1B1 2558/4885TDP1 3331/4885SLC6A2 3918/4885
US-20170320833-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, PYGL, HCCS AKR1B1 2558/4885TDP1 3331/4885SLC6A2 3918/4885
US-20080044380-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS AKR1B1 2558/4885TDP1 3331/4885SLC6A2 3918/4885

“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.