SCHEMBL3774672

SCHEMBL3774672

CCCCn1c(C)c(C(C)=O)c(=O)n1-c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 11/20 0.47
ALDH1A1 P00352 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
DPP4 P27487 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL198057 0.82 ABCB1 (0.50) ABCB1ALDH1A1MAOAMAOBDPP4
SCHEMBL23403212 0.81 TSHR (0.54) MEN1KMT2APOLB
SCHEMBL13467902 0.80 ABCB1 (0.48) ABCB1ALDH1A1MAOAMAOBDPP4
SCHEMBL23400266 0.79 PTGS2 (0.60) ALDH1A1MEN1KMT2ANPSR1POLB
SCHEMBL2109064 0.78 ALDH1A1 (0.63) ALDH1A1MEN1KMT2AMAOAMAOB
SCHEMBL15550275 0.76 ABCB1 (0.52) ABCB1ALDH1A1MAOAMAOBDPP4
SCHEMBL11413133 0.75 DPP4 (0.41) ALDH1A1MEN1KMT2ANPSR1MAOA
SCHEMBL23403092 0.75 KMT2A (0.53) KMT2APOLB
SCHEMBL23403170 0.74 CNR1 (0.44) ALDH1A1MEN1KMT2ANPSR1POLB
SCHEMBL23399646 0.73 PTGS2 (0.56) ALDH1A1MEN1KMT2ANPSR1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7718275-B2 Electroluminescent materials and devices MERCK PATENT GMBH (DE) 2010-05-18 US disclosed
US-20060035110-A1 Electroluminescent materials and devices OLED-T LIMITED (GB) 2006-02-16 US disclosed
EP-1567612-A1 ELECTROLUMINESCENT MATERIALS AND DEVICES ELAM-T Limited (GB) 2005-08-31 EP disclosed
WO-2004050793-A1 ELECTROLUMINESCENT MATERIALS AND DEVICES ELAM-T LIMITED (GB) 2004-06-17 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 (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-20060035110-A1 Electroluminescent materials and devices DNMT1, BMI1, DNMT3L ABCB1 3212/4885ALDH1A1 204/4885MEN1 547/4885

“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.