SCHEMBL2046583

SCHEMBL2046583

COc1cc2ccc(Br)cc2cc1C=O

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
KDM4E B2RXH2 3/20 0.52
TSHR P16473 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
PRKDC P78527 1/20 0.47
ERN1 O75460 5/20 0.46
LMNA P02545 3/20 0.42
HPGD P15428 1/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.42
MAPT P10636 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
POLB P06746 2/20 0.41
MCL1 Q07820 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
RXFP1 Q9HBX9 1/20 0.39
TUBB1 Q9H4B7 1/20 0.38
CYP2A6 P11509 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
SCHEMBL14931681 1.00 ALDH1A1 (0.52) ALDH1A1KDM4ETSHRTDP1PRKDC
SCHEMBL1487621 0.84 ALDH1A1 (0.71) ALDH1A1KDM4ETSHRTDP1PRKDC
SCHEMBL2044950 0.83 KDM4E (0.40) ALDH1A1KDM4ELMNAMAPTMEN1
SCHEMBL8502354 0.82 CYP2A6 (0.50) ALDH1A1KDM4ELMNAHPGDMAPT
SCHEMBL11299778 0.81 ALDH1A1 (0.57) ALDH1A1KDM4ETSHRTDP1PRKDC
SCHEMBL4059355 0.80 ALDH1A1 (0.61) ALDH1A1KDM4ETSHRTDP1PRKDC
SCHEMBL30178662 0.80 ALDH1A1 (0.63) ALDH1A1KDM4ETSHRTDP1PRKDC
SCHEMBL29890082 0.80 ERN1 (0.58) ALDH1A1KDM4ETSHRTDP1PRKDC
SCHEMBL153974 0.80 ERN1 (0.58) ALDH1A1KDM4ETSHRTDP1PRKDC
SCHEMBL11173 0.80 ALDH1A1 (0.63) ALDH1A1KDM4ETSHRTDP1PRKDC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2573067-B1 AROMATIC BUTAN-2-OL COMPOUNDS, PREPARATION METHODS AND USES THEREOF INST PHARMACOLOGY & TOXICOLOGY ACADEMY MILITARY MEDICAL SCIENCES PLA CHINA (CN) 2018-10-10 EP disclosed
US-8674136-B2 Aromatic butan-2-ol compounds and preparation and uses thereof INSTITUTE OF PHARMACOLOGY AND TOXICOLOGY ACADEMY OF MILITARY MEDICAL SCIENCES P.L.A. CHINA (CN) 2014-03-18 US disclosed
US-8674136-B2 Aromatic butan-2-ol compounds and preparation and uses thereof INSTITUTE OF PHARMACOLOGY AND TOXICOLOGY ACADEMY OF MILITARY MEDICAL SCIENCES P.L.A. CHINA (CN) 2014-03-18 US disclosed
US-8674136-B2 Aromatic butan-2-ol compounds and preparation and uses thereof INSTITUTE OF PHARMACOLOGY AND TOXICOLOGY ACADEMY OF MILITARY MEDICAL SCIENCES P.L.A. CHINA (CN) 2014-03-18 US disclosed
EP-2364321-B1 HCV inhibitors BRISTOL MYERS SQUIBB CO (US) 2013-04-17 EP disclosed
EP-2364321-B1 HCV inhibitors BRISTOL MYERS SQUIBB CO (US) 2013-04-17 EP disclosed
US-20130085183-A1 AROMATIC BUTAN-2-OL COMPOUNDS AND PREPARATION AND USES THEREOF INSTITUTE OF PHARMACOLOGY AND TOXICOLOGY ACADEMY OF MILITARY MEDICAL SCIENCES P.L.A. CHINA (CN) 2013-04-04 US disclosed
US-20130085183-A1 AROMATIC BUTAN-2-OL COMPOUNDS AND PREPARATION AND USES THEREOF INSTITUTE OF PHARMACOLOGY AND TOXICOLOGY ACADEMY OF MILITARY MEDICAL SCIENCES P.L.A. CHINA (CN) 2013-04-04 US disclosed
EP-2573067-A1 AROMATIC BUTAN-2-OL COMPOUNDS, PREPARATION METHODS AND USES THEREOF Institute Of Pharmacology And Toxicology Academy Of Militaty Medical Sciences P.L.A. (CN) 2013-03-27 EP disclosed
EP-2573067-A1 AROMATIC BUTAN-2-OL COMPOUNDS, PREPARATION METHODS AND USES THEREOF Institute Of Pharmacology And Toxicology Academy Of Militaty Medical Sciences P.L.A. (CN) 2013-03-27 EP disclosed
US-20100272674-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2010-10-28 US disclosed
US-20100272674-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2010-10-28 US disclosed
US-20100272674-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2010-10-28 US disclosed
WO-2010065577-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-06-10 WO disclosed
WO-2010065577-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-06-10 WO disclosed
WO-2010036551-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-04-01 WO disclosed
WO-2010036551-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-04-01 WO disclosed
US-20100080770-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2010-04-01 US disclosed
US-20100080770-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2010-04-01 US disclosed
US-20100080770-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2010-04-01 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 (3 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-20100080770-A1 Hepatitis C Virus Inhibitors HAVCR2, HCCS, PYGL ALDH1A1 623/4885KDM4E 3825/4885TSHR 4631/4885
US-20100272674-A1 Hepatitis C Virus Inhibitors HAVCR2, HCCS, GOT1 ALDH1A1 421/4885KDM4E 4022/4885TSHR 4649/4885
US-20130085183-A1 AROMATIC BUTAN-2-OL COMPOUNDS AND PREPARATION AND USES THEREOF TMBIM6, SORD, TBC1D5 ALDH1A1 872/4885KDM4E 3183/4885TSHR 3747/4885

“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.