SCHEMBL15328889

SCHEMBL15328889

CCCC1CC(=O)C(C(C)=O)C(=O)C1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FYN P06241 1/20 0.41
HCAR2 Q8TDS4 1/20 0.38
TLR4 O00206 2/20 0.37
ALDH1A1 P00352 3/20 0.33
NPSR1 Q6W5P4 1/20 0.33
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP2C9 P11712 1/20 0.33
MAPT P10636 2/20 0.32
ELANE P08246 1/20 0.32
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.30

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
SCHEMBL12648134 0.89 TLR4 (0.44) FYNTLR4ALDH1A1NPSR1CYP2C9
SCHEMBL12648342 0.87 CYP1A2 (0.45) TLR4ALDH1A1KMT2ACYP2C9MAPT
SCHEMBL14867423 0.85 CYP1A2 (0.44) TLR4ALDH1A1KMT2AELANECYP1A2
SCHEMBL1766113 0.83 NPSR1 (0.35) ALDH1A1NPSR1KMT2AMAPTLMNA
SCHEMBL15328544 0.74 NPSR1 (0.38) ALDH1A1NPSR1MAPT
SCHEMBL19263350 0.74 NPSR1 (0.33) NPSR1
SCHEMBL18272605 0.74 SMN1; SMN2 (0.39) TLR4ALDH1A1
SCHEMBL12648140 0.73 TLR4 (0.44) TLR4ALDH1A1MAPTELANELMNA
SCHEMBL10424086 0.73 KMT2A (0.35) TLR4NPSR1KMT2A
SCHEMBL1177190 0.72 FYN (0.41) FYNHCAR2TLR4NOS3NOS1

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 FYN 3663/4885HCAR2 1404/4885TLR4 1920/4885
US-20130281450-A1 ISOINDOLONE DERIVATIVES CYP11B1, HSD17B7, CYP4A11 FYN 3604/4885HCAR2 1455/4885TLR4 1885/4885

“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.