SCHEMBL8414532

SCHEMBL8414532

CCCCOc1cccc(C(=O)C(=O)Cl)c1

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.59
SMPD1 P17405 3/20 0.58
PLA2G4B P0C869 3/20 0.58
THRB P10828 2/20 0.57
NR1H4 Q96RI1 2/20 0.55
THRA P10827 1/20 0.53
MAPK1 P28482 2/20 0.52
KAT6A Q92794 1/20 0.52
USP2 O75604 1/20 0.52
MEN1 O00255 2/20 0.50
ADRB2 P07550 2/20 0.50
AKR1C2 P52895 1/20 0.49
AKR1C1 Q04828 1/20 0.49
LMNA P02545 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL5202638 0.88 KMT2A (0.62) KMT2ASMPD1PLA2G4BTHRBNR1H4
SCHEMBL8414531 0.86 KMT2A (0.65) KMT2ASMPD1PLA2G4BTHRBNR1H4
SCHEMBL16196481 0.84 SMPD1 (0.74) KMT2ASMPD1PLA2G4BTHRBNR1H4
SCHEMBL30016648 0.84 SMPD1 (0.74) KMT2ASMPD1PLA2G4BTHRBNR1H4
SCHEMBL8465014 0.83 SMPD1 (0.68) KMT2ASMPD1PLA2G4BTHRBNR1H4
SCHEMBL1436145 0.83 THRB (0.65) KMT2ASMPD1PLA2G4BTHRBNR1H4
SCHEMBL3315904 0.83 KMT2A (0.84) KMT2ASMPD1PLA2G4BNR1H4
SCHEMBL27903063 0.83 KMT2A (0.64) KMT2ASMPD1PLA2G4BTHRBNR1H4
SCHEMBL31135466 0.82 KMT2A (0.56) KMT2ASMPD1PLA2G4BTHRBNR1H4
SCHEMBL31679681 0.82 KMT2A (0.56) KMT2ASMPD1PLA2G4BTHRBNR1H4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007016012-A2 CYCLOALKYL AMINO-HYDANTOIN COMPOUNDS AND USE THEREOF FOR β-SECRETASE MODULATION WYETH (US) 2007-02-08 WO disclosed
US-20070027199-A1 Cycloalkyl amino-hydantoin compounds and use thereof for beta-secretase modulation WYETH (US) 2007-02-01 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-20070027199-A1 Cycloalkyl amino-hydantoin compounds and use thereof for beta-secretase modulation BACE1, BACE2, APP KMT2A 1445/4885SMPD1 247/4885PLA2G4B 603/4885

“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.