SCHEMBL2044950

SCHEMBL2044950

C=Cc1cc2cc(Br)ccc2cc1OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.40
RXFP1 Q9HBX9 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
MAPT P10636 3/20 0.39
POLB P06746 2/20 0.39
MCL1 Q07820 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CYP2A6 P11509 1/20 0.38
STING1 Q86WV6 3/20 0.37
LMNA P02545 3/20 0.37
CYP1A1 P04798 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP1B1 Q16678 1/20 0.37
AMY1A P0DUB6 1/20 0.36
ALDH1A1 P00352 2/20 0.36
TUBB4A P04350 1/20 0.36
TUBB P07437 1/20 0.36
TUBA3C P0DPH7 1/20 0.36

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 0.83 ALDH1A1 (0.52) KDM4ERXFP1L3MBTL1MEN1KMT2A
SCHEMBL2046583 0.83 ALDH1A1 (0.52) KDM4ERXFP1L3MBTL1MEN1KMT2A
SCHEMBL8502354 0.82 CYP2A6 (0.50) KDM4ERXFP1MEN1KMT2AMAPT
SCHEMBL7934456 0.81 CYP1A2 (0.45) CYP2A6STING1CYP1A1CYP1A2CYP1B1
SCHEMBL5713 0.80 MEN1 (0.43) KDM4EL3MBTL1MEN1KMT2AMAPT
SCHEMBL129594 0.80 AMY1A (0.51) KDM4EL3MBTL1MEN1KMT2AMAPT
SCHEMBL7928059 0.80 NQO1 (0.50) KDM4EL3MBTL1MAPTCYP2A6STING1
SCHEMBL14733962 0.80 STING1 (0.37) KDM4EMEN1KMT2AMAPTCYP2A6
SCHEMBL9381604 0.75 CA12 (0.52) KDM4ERXFP1L3MBTL1MEN1KMT2A
SCHEMBL8147509 0.75 MAPT (0.46) KDM4ERXFP1L3MBTL1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2364321-B1 HCV inhibitors BRISTOL MYERS SQUIBB CO (US) 2013-04-17 EP disclosed
EP-2331552-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2013-02-27 EP disclosed
EP-2364321-A1 HEPATITIS C VIRUS INHIBITORS Bristol-Myers Squibb Company (US) 2011-09-14 EP disclosed
EP-2331552-A1 HEPATITIS C VIRUS INHIBITORS Bristol-Myers Squibb Company (US) 2011-06-15 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 (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-20100080770-A1 Hepatitis C Virus Inhibitors HAVCR2, HCCS, PYGL KDM4E 3825/4885RXFP1 4800/4885L3MBTL1 4137/4885
US-20100272674-A1 Hepatitis C Virus Inhibitors HAVCR2, HCCS, GOT1 KDM4E 4022/4885RXFP1 4774/4885L3MBTL1 4075/4885

“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.