SCHEMBL15328982

SCHEMBL15328982

CC1(C)OB(c2ccccc2COc2cccc(C(F)(F)F)c2)OC1(C)C

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.43
PTGES O14684 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
BRD4 O60885 1/20 0.41
LMNA P02545 2/20 0.41
MRGPRX4 Q96LA9 1/20 0.41
PKM P14618 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MAOB P27338 2/20 0.40
LIPE Q05469 3/20 0.40
AOC3 Q16853 1/20 0.40
USP2 O75604 1/20 0.39
HTT P42858 1/20 0.39
NR4A2 P43354 1/20 0.39

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
SCHEMBL15328636 0.82 DGAT1 (0.45) L3MBTL1MAOB
SCHEMBL3209995 0.80 LMNA (0.42) L3MBTL1LMNAMRGPRX4PKMHSD17B10
SCHEMBL10304907 0.78 BRD4 (0.53) MCL1PTGESL3MBTL1BRD4LMNA
SCHEMBL15328983 0.78 RXRA (0.41) MRGPRX4MAOBLIPE
SCHEMBL18161383 0.76 L3MBTL1 (0.50) MCL1PTGESL3MBTL1BRD4LMNA
SCHEMBL19141123 0.76 DGAT1 (0.43) LMNAMAOB
SCHEMBL261662 0.73 CXCR2 (0.39) LIPE
SCHEMBL8620460 0.72 MCL1 (0.51) MCL1PTGESL3MBTL1BRD4LMNA
SCHEMBL31409564 0.72 MAOB (0.53) MAOB
SCHEMBL17129613 0.72 MAOB (0.59) L3MBTL1MRGPRX4MAOBHTTNR4A2

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
EP-2838881-B1 ISOINDOLONE DERIVATIVES ABBVIE INC (US) 2018-08-08 EP disclosed
US-9776990-B2 Isoindolone derivatives ABBVIE INC. (US) 2017-10-03 US disclosed
US-20150111890-A1 ISOINDOLONE DERIVATIVES ABBVIE INC. 2015-04-23 US disclosed
EP-2850071-A1 ISOINDOLONE DERIVATIVES AbbVie Inc. (US) 2015-03-25 EP disclosed
EP-2838881-A1 ISOINDOLONE DERIVATIVES AbbVie Inc. (US) 2015-02-25 EP disclosed
WO-2013155695-A1 ISOINDOLONE DERIVATIVES ABBOTT LABORATORIES (US) 2013-10-24 WO disclosed
WO-2013158952-A1 ISOINDOLONE DERIVATIVES ABBVIE INC. (US) 2013-10-24 WO disclosed
US-20130281450-A1 ISOINDOLONE DERIVATIVES ABBVIE INC. 2013-10-24 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-20150111890-A1 ISOINDOLONE DERIVATIVES CYP11B1, HSD17B7, CYP4A11 MCL1 1822/4885PTGES 229/4885L3MBTL1 2467/4885
US-20130281450-A1 ISOINDOLONE DERIVATIVES CYP11B1, HSD17B7, CYP4A11 MCL1 1716/4885PTGES 232/4885L3MBTL1 2399/4885

“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.