SCHEMBL2964400

SCHEMBL2964400

O=C(O)CCCCCCCc1ccc2c3cccc4cccc(c5cccc1c52)c43

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.73
MEN1 O00255 2/20 0.73
F13A1 P00488 3/20 0.46
MAPT P10636 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
CYP1A2 P05177 3/20 0.46
CYP2D6 P10635 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
GLA P06280 1/20 0.46
POLB P06746 1/20 0.46
HPGD P15428 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CYP2C19 P33261 1/20 0.44
HDAC3 O15379 1/20 0.41
MAPK1 P28482 1/20 0.41
ADRA1A P35348 1/20 0.41
HDAC4 P56524 1/20 0.41
SLC6A3 Q01959 1/20 0.41
HDAC1 Q13547 1/20 0.41

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
SCHEMBL30148487 1.00 KMT2A (0.73) KMT2AMEN1F13A1MAPTRXFP1
SCHEMBL285046 1.00 KMT2A (0.73) KMT2AMEN1F13A1MAPTRXFP1
SCHEMBL31515175 0.98 KMT2A (0.75) KMT2AMEN1F13A1MAPTRXFP1
SCHEMBL22548403 0.98 KMT2A (0.75) KMT2AMEN1F13A1MAPTRXFP1
SCHEMBL2962696 0.95 KMT2A (0.79) KMT2AMEN1F13A1MAPTRXFP1
SCHEMBL29834154 0.95 KMT2A (0.79) KMT2AMEN1F13A1MAPTRXFP1
SCHEMBL591648 0.90 KMT2A (0.91) KMT2AMEN1F13A1MAPTRXFP1
SCHEMBL4634469 0.90 KMT2A (0.91) KMT2AMEN1F13A1MAPTRXFP1
SCHEMBL8644297 0.90 KMT2A (0.91) KMT2AMEN1F13A1MAPTRXFP1
SCHEMBL31672143 0.90 KMT2A (0.91) KMT2AMEN1F13A1MAPTRXFP1

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-7772402-B2 Optically detectable organophosphonates AUSTRIA WIRTSCHAFTSSERVICE GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (AT) 2010-08-10 US disclosed
US-20090258422-A1 OPTICALLY DETECTABLE ORGANOPHOSPHONATES AUSTRIA WIRTSCHAFTSSERVICE GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (AT) 2009-10-15 US disclosed
US-7601845-B2 Optically detectable organophosphonates AUSTRIA WIRTSCHAFTSSERVICE GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (AT) 2009-10-13 US disclosed
US-20060134715-A1 Optically detectable organophosphonates AUSTRIA WIRTSCHAFTSSERVICE GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (AT) 2006-06-22 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-20090258422-A1 OPTICALLY DETECTABLE ORGANOPHOSPHONATES LYPLA1, CES1, LIPE KMT2A 4771/4885MEN1 1535/4885F13A1 1717/4885
US-20060134715-A1 Optically detectable organophosphonates LYPLA1, CES1, LIPE KMT2A 4771/4885MEN1 1535/4885F13A1 1717/4885

“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.