SCHEMBL7253266

SCHEMBL7253266

CC(C)(C)c1ccc(COc2cc[c]cc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.65
NR4A2 P43354 2/20 0.58
RXRA P19793 1/20 0.58
RXRB P28702 1/20 0.58
NR4A1 P22736 1/20 0.49
NR4A3 Q92570 1/20 0.49
RAB9A P51151 4/20 0.44
NPC1 O15118 3/20 0.44
MAOB P27338 5/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
ATM Q13315 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
S1PR1 P21453 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 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
SCHEMBL22275947 0.87 APP (0.82) APPNR4A2RXRARXRBNR4A1
SCHEMBL4650257 0.83 APP (0.45) APPNR4A2RXRARXRBRAB9A
SCHEMBL697164 0.82 MAOB (0.65) MAOB
SCHEMBL12264541 0.81 APP (0.69) APPNR4A2RXRARXRBNR4A1
SCHEMBL1702727 0.81 APP (0.74) APPNR4A2RXRARXRBNR4A1
SCHEMBL6154800 0.80 APP (0.54) APPNR4A2RXRARXRBNR4A1
SCHEMBL13439792 0.80 APP (0.72) APPNR4A2RXRARXRBRAB9A
SCHEMBL13761551 0.80 APP (0.72) APPNR4A2RXRARXRBNR4A1
SCHEMBL13929695 0.80 APP (0.72) APPNR4A2RXRARXRBNR4A1
SCHEMBL543113 0.79 MAOB (0.54) APPRAB9ANPC1MAOBLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9567355-B2 Hepatitis C inhibitors and uses thereof ABBVIE INC. (US) 2017-02-14 US disclosed
US-20160355530-A1 HEPATITIS C INHIBITORS AND USES THEREOF ABBVIE INC. 2016-12-08 US disclosed
US-9453007-B2 Hepatitis C inhibitors and uses thereof ABBVIE INC. (US) 2016-09-27 US disclosed
US-20160002213-A1 HEPATITIS C INHIBITORS AND USES THEREOF ABBVIE INC. 2016-01-07 US disclosed
US-9173887-B2 Hepatitis C inhibitors and uses thereof ABBVIE INC. (US) 2015-11-03 US disclosed
US-20140038919-A1 HEPATITIS C INHIBITORS AND USES THEREOF ABBVIE INC. (US) 2014-02-06 US disclosed
US-6610731-B2 Antiinflammatory BRISTOL-MYERS SQUIBB COMPANY 2003-08-26 US disclosed
US-6403632-B1 CYCLIC AMIDE DERIVATIVE BRISTOL MYERS SQUIBB PHARMA CO (US) 2002-06-11 US disclosed
US-5814646-A TREATING THE PROGRESSION OF ALZHEIMER'S DISEASE, BRAIN DISORDERS ELI LILLY AND COMPANY (US) 1998-09-29 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-20160002213-A1 HEPATITIS C INHIBITORS AND USES THEREOF HAVCR2, HCCS, SLC10A1 APP 4360/4885NR4A2 4383/4885RXRA 1542/4885
US-20140038919-A1 HEPATITIS C INHIBITORS AND USES THEREOF HAVCR2, HCCS, SLC10A1 APP 4360/4885NR4A2 4383/4885RXRA 1542/4885
US-20160355530-A1 HEPATITIS C INHIBITORS AND USES THEREOF HAVCR2, HCCS, SLC10A1 APP 4360/4885NR4A2 4383/4885RXRA 1542/4885

“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.