SCHEMBL9959009

SCHEMBL9959009

COc1ccc(-c2cc3cc(B4OC(C)(C)C(C)(C)O4)ccn3n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SNCA P37840 1/20 0.42
DGAT1 O75907 1/20 0.42
LPL P06858 3/20 0.38
LIPG Q9Y5X9 3/20 0.38
NPC1 O15118 6/20 0.36
RAB9A P51151 6/20 0.36
ALDH1A1 P00352 5/20 0.36
MAPT P10636 4/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
KDM4E B2RXH2 3/20 0.36
HPGD P15428 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ATM Q13315 2/20 0.36
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
MAPK1 P28482 1/20 0.35
PKM P14618 1/20 0.35
CDK5 Q00535 1/20 0.35
CDK5R1 Q15078 1/20 0.35

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
SCHEMBL2029895 0.85 LIPG (0.51) DGAT1LPLLIPGNPC1RAB9A
SCHEMBL8240472 0.85 LPL (0.39) DGAT1LPLLIPGNPC1RAB9A
SCHEMBL25200891 0.75 IRAK4 (0.39) LPLLIPGCA1CA2CA9
SCHEMBL5214295 0.74 AURKA (0.45) NPC1RAB9AALDH1A1MAPTSMN1; SMN2
SCHEMBL26906261 0.74 LPL (0.35) SNCALPLLIPGKDRCA1
SCHEMBL9952677 0.74 NPM1 (0.43) NPC1RAB9AALDH1A1MAPTSMN1; SMN2
SCHEMBL16866337 0.74 LIPG (0.43) SNCADGAT1LPLLIPGNPC1
SCHEMBL22795474 0.71 LIPG (0.65) SNCADGAT1LPLLIPGCA1
SCHEMBL11316335 0.71 HRH3 (0.55) NPC1RAB9AALDH1A1MAPTSMN1; SMN2
SCHEMBL4757371 0.70 LIPG (0.50) SNCADGAT1LPLLIPGNPC1

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 8 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
EP-2655362-A1 HEPATITIS C INHIBITORS AND USES THEREOF Abbvie Inc. (US) 2013-10-30 EP disclosed
WO-2012087833-A1 HEPATITIS C INHIBITORS AND USES THEREOF ABBOTT LABORATORIES (US) 2012-06-28 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 (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 SNCA 2940/4885DGAT1 1869/4885LPL 1075/4885
US-20140038919-A1 HEPATITIS C INHIBITORS AND USES THEREOF HAVCR2, HCCS, SLC10A1 SNCA 2940/4885DGAT1 1869/4885LPL 1075/4885
US-20160355530-A1 HEPATITIS C INHIBITORS AND USES THEREOF HAVCR2, HCCS, SLC10A1 SNCA 2940/4885DGAT1 1869/4885LPL 1075/4885

“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.