SCHEMBL2858714

SCHEMBL2858714

CCOC(=O)C(=O)C(C)C(=O)c1ccc(F)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.49
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
LMNA P02545 2/20 0.49
CYP1A2 P05177 2/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
KDM4E B2RXH2 4/20 0.47
GAA P10253 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
CASP3 P42574 1/20 0.46
TRPV1 Q8NER1 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
ALDH1A1 P00352 3/20 0.42
HPGD P15428 2/20 0.41
SLC6A2 P23975 1/20 0.40
SLC6A3 Q01959 1/20 0.40
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40

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
SCHEMBL2117704 0.84 KMT2A (0.49) MAPTKMT2AMEN1LMNACYP1A2
SCHEMBL277081 0.84 SMN1; SMN2 (0.48) MAPTLMNACYP1A2GAATDP1
SCHEMBL1741190 0.84 ALDH1A1 (0.53) MAPTKMT2AMEN1LMNAALDH1A1
SCHEMBL2851807 0.84 NPSR1 (0.49) MAPTKMT2AMEN1LMNANPSR1
SCHEMBL2852255 0.83 HDAC3 (0.48) MAPTLMNACYP1A2TDP1ALDH1A1
SCHEMBL4800700 0.83 SMN1; SMN2 (0.47) MAPTLMNACYP1A2GAATDP1
SCHEMBL2776674 0.82 KMT2A (0.44) MAPTKMT2AMEN1LMNACYP1A2
SCHEMBL2776676 0.82 KMT2A (0.44) MAPTKMT2AMEN1LMNACYP1A2
SCHEMBL14346527 0.82 CA12 (0.36) MAPTKMT2AMEN1LMNACYP1A2
SCHEMBL16883572 0.81 KMT2A (0.43) MAPTKMT2AMEN1LMNACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8354442-B2 Imidazol-4-one and imidazole-4-thione compounds NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2013-01-15 US disclosed
WO-2010062686-A2 IMIDAZOL-4-ONE AND IMIDAZOLE-4-THIONE COMPOUNDS NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2010-06-03 WO disclosed
US-20100113546-A1 Imidazol-4-one and Imidazole-4-thione Compounds NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2010-05-06 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 (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-20100113546-A1 Imidazol-4-one and Imidazole-4-thione Compounds CNR1, CNR2, HRH4 MAPT 1641/4885KMT2A 2524/4885MEN1 2451/4885

“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.