SCHEMBL217945

SCHEMBL217945

CCC(C)(CC)C(=O)CC(C)=O

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
HTT P42858 1/20 0.33
KDM4E B2RXH2 1/20 0.32
KDM6B O15054 1/20 0.32
KDM5C P41229 1/20 0.32
EGLN1 Q9GZT9 1/20 0.32
PHF8 Q9UPP1 1/20 0.32
KDM2A Q9Y2K7 1/20 0.32
TRPA1 O75762 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
SCHEMBL220481 0.86 TDP1 (0.33) ALDH1A1TDP1
SCHEMBL22952840 0.80 CES2 (0.40)
SCHEMBL8061619 0.80 CES2 (0.40)
SCHEMBL11444485 0.79 VDR (0.33)
SCHEMBL31063671 0.79 ALDH1A1 (0.38) ALDH1A1TDP1MGAMGAASI
SCHEMBL7108514 0.78 CYP4F2 (0.42) ALDH1A1TDP1HTTKDM4E
SCHEMBL15658553 0.77 TDP1 (0.43) ALDH1A1TDP1
SCHEMBL15657832 0.77 ALDH1A1 (0.50) ALDH1A1TDP1GAA
SCHEMBL23009392 0.75 FAAH (0.32)
SCHEMBL22431438 0.75 FAAH (0.41)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240279539-A1 ORGANOMETALLIC COMPOUND, LIGHT-EMITTING DEVICE INCLUDING THE ORGANOMETALLIC COMPOUND, AND ELECTRONIC APPARATUS AND ELECTRONIC DEVICE, EACH INCLUDING THE LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2024-08-22 US disclosed
CN-118388542-A Organometallic compound, light-emitting device, electronic device, and electronic device 三星显示有限公司 2024-07-26 CN disclosed
US-8088686-B2 Method of remedying deterioration of insulating film TAIYO NIPPON SANSO CORPORATION (JP) 2012-01-03 US disclosed
US-20090099384-A1 Method of Remedying Deterioration of Insulating Film TAIYO NIPPON SANSO CORPORATION (JP) 2009-04-16 US disclosed
EP-2012349-A1 METHOD OF REMEDYING DAMAGE ON INSULATING FILM Taiyo Nippon Sanso Corporation (JP) 2009-01-07 EP 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 (1 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-20240279539-A1 ORGANOMETALLIC COMPOUND, LIGHT-EMITTING DEVICE INCLUDING THE ORGANOMETALLIC COMPOUND, AND ELECTRONIC APPARATUS AND ELECTRONIC DEVICE, EACH INCLUDING THE LIGHT-EMITTING DEVICE RUVBL2, RUVBL1, LIG1 ALDH1A1 1246/4885TDP1 3820/4885MGAM 4306/4885

“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.