SCHEMBL4653563

SCHEMBL4653563

C=CCOc1cccc2c1cc(C)n2Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CYP19A1 P11511 1/20 0.42
MTNR1A P48039 2/20 0.41
MTNR1B P49286 2/20 0.41
MCL1 Q07820 1/20 0.41
BRD4 O60885 2/20 0.40
MAPT P10636 2/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
HTR6 P50406 2/20 0.39
SETDB1 Q15047 1/20 0.39
P2RX4 Q99571 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2A6 P11509 1/20 0.38
PDE4B Q07343 1/20 0.38
CCR2 P41597 1/20 0.38

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
SCHEMBL3199231 0.84 MAPK1 (0.56) MAPK1SMN1; SMN2MEN1KMT2ACYP19A1
SCHEMBL14339060 0.84 PLA2G2A (0.43) MAPK1SMN1; SMN2MAPTALDH1A1SETDB1
SCHEMBL2157047 0.81 MAPK1 (0.58) MAPK1SMN1; SMN2MEN1KMT2ACYP19A1
SCHEMBL13485078 0.81 MAPK1 (0.52) MAPK1SMN1; SMN2MEN1KMT2ACYP19A1
SCHEMBL3203921 0.80 PLA2G2A (0.56) MAPK1SMN1; SMN2MTNR1AMTNR1BMCL1
SCHEMBL26613 0.77 PLA2G2A (0.59) MAPK1SMN1; SMN2MTNR1AMTNR1BMCL1
SCHEMBL3197253 0.76 MAPK1 (0.50) MAPK1SMN1; SMN2MTNR1AMTNR1BMCL1
SCHEMBL14531083 0.76 SMN1; SMN2 (0.52) MAPK1SMN1; SMN2MEN1KMT2ACYP19A1
SCHEMBL14531568 0.75 MAPK1 (0.46) MAPK1SMN1; SMN2MEN1KMT2ACYP19A1
SCHEMBL4653424 0.75 MAPK1 (0.49) MAPK1SMN1; SMN2MEN1KMT2ACYP19A1

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
EP-1951315-A2 PHOSPHOLIPASE INHIBITORS, INCLUDING MULTI-VALENT PHOSPHOLIPASE INHIBITORS, AND USE THEREOF, INCLUDING AS LUMEN-LOCALIZED PHOSPHOLIPASE INHIBITORS Ilypsa, Inc. (US) 2008-08-06 EP disclosed
US-20070135383-A1 Phospholipase inhibitors, including multi-valent phospholipase inhibitors, and use thereof, including as lumen-localized phospholipase inhibitors ILYPSA, INC. 2007-06-14 US disclosed
US-20070135383-A1 Phospholipase inhibitors, including multi-valent phospholipase inhibitors, and use thereof, including as lumen-localized phospholipase inhibitors ILYPSA, INC. 2007-06-14 US disclosed
US-20070135383-A1 Phospholipase inhibitors, including multi-valent phospholipase inhibitors, and use thereof, including as lumen-localized phospholipase inhibitors ILYPSA, INC. 2007-06-14 US disclosed
WO-2007056279-A2 PHOSPHOLIPASE INHIBITORS, INCLUDING MULTI-VALENT PHOSPHOLIPASE INHIBITORS, AND USE THEREOF, INCLUDING AS LUMEN-LOCALIZED PHOSPHOLIPASE INHIBITORS ILYPSA, INC. (US) 2007-05-18 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-20070135383-A1 Phospholipase inhibitors, including multi-valent phospholipase inhibitors, and use thereof, including as lumen-localized phospholipase inhibitors PNLIP, PLA2G2E, PLA2G3 MAPK1 3672/4885SMN1; SMN2 4155/4885MEN1 1896/4885

“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.