SCHEMBL7921779

SCHEMBL7921779

COC(=O)c1ccc2cccc(-c3cc(F)ccc3OC)c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 1/20 0.46
PGR P06401 1/20 0.46
NR3C2 P08235 1/20 0.46
AR P10275 1/20 0.46
HDAC6 Q9UBN7 2/20 0.44
MAPT P10636 5/20 0.44
PARP1 P09874 1/20 0.42
KMT2A Q03164 5/20 0.41
MEN1 O00255 3/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
KDM4E B2RXH2 2/20 0.41
HPGD P15428 2/20 0.41
ALDH1A1 P00352 1/20 0.41
GLA P06280 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NQO2 P16083 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
LMNA P02545 2/20 0.40
TNF P01375 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
SCHEMBL16502424 0.90 CCNT1 (0.42) MAPTPARP1KMT2AMEN1NPC1
SCHEMBL16502489 0.89 LMNA (0.50) NR3C1PGRNR3C2ARHDAC6
SCHEMBL7916672 0.89 NQO2 (0.46) HDAC6MAPTKMT2AMEN1NPC1
SCHEMBL7915360 0.88 NPC1 (0.45) MAPTPARP1KMT2AMEN1NPC1
SCHEMBL7916556 0.85 ALDH1A1 (0.42) MAPTPARP1KMT2AMEN1NPC1
SCHEMBL16502486 0.85 MAPK14 (0.45) MAPTPARP1KMT2AMEN1NPC1
SCHEMBL16502524 0.83 MAPK14 (0.42) MAPTPARP1KMT2AMEN1NPC1
SCHEMBL16494683 0.83 MAPT (0.43) MAPTKMT2AMEN1NPC1RAB9A
SCHEMBL7913855 0.83 SLC9A1 (0.54)
SCHEMBL16502452 0.82 PLAU (0.47) MAPTKMT2AMEN1NPC1RAB9A

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-20110306621-A1 ACYLGUANIDINE DERIVATIVES ASTELLAS PHARMA INC. (JP) 2011-12-15 US disclosed
US-20110306621-A1 ACYLGUANIDINE DERIVATIVES ASTELLAS PHARMA INC. (JP) 2011-12-15 US disclosed
EP-2394987-A1 ACYLGUANIDINE DERIVATIVE Astellas Pharma Inc. (JP) 2011-12-14 EP disclosed
WO-2010090304-A1 ACYLGUANIDINE DERIVATIVE アステラス製薬株式会社 (JP) 2010-08-12 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-20110306621-A1 ACYLGUANIDINE DERIVATIVES HTR5A, HTR2A, HTR1A NR3C1 329/4885PGR 1397/4885NR3C2 683/4885

“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.