SCHEMBL981885

SCHEMBL981885

Cc1ccc(-c2ccccc2C(=O)C(=O)c2ccccc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CES2 O00748 8/20 0.63
CES1 P23141 8/20 0.63
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
AKR1C3 P42330 1/20 0.46
BCAT2 O15382 1/20 0.46
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
GAA P10253 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
LMNA P02545 1/20 0.43
MAPK1 P28482 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MAPT P10636 2/20 0.43
UHRF1 Q96T88 1/20 0.42
LTB4R2 Q9NPC1 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
Biphenyl SCHEMBL28340553 0.87 BCAT2 (0.55) CES2CES1KMT2AMEN1SMN1; SMN2
Benzene SCHEMBL28343003 0.87 BCAT2 (0.55) CES2CES1KMT2AMEN1SMN1; SMN2
SCHEMBL30277841 0.87 BCAT2 (0.59) CES2CES1KMT2AMEN1SMN1; SMN2
SCHEMBL27676197 0.87 BCAT2 (0.59) CES2CES1KMT2AMEN1SMN1; SMN2
SCHEMBL8562483 0.86 KMT2A (0.49) CES2CES1KMT2AMEN1SMN1; SMN2
SCHEMBL5693606 0.84 AKR1C3 (0.61) CES2CES1KMT2AMEN1SMN1; SMN2
SCHEMBL28864516 0.83 CES2 (0.63) CES2CES1KMT2AMEN1SMN1; SMN2
SCHEMBL7485120 0.82 CES2 (0.67) CES2CES1KMT2ASMN1; SMN2NPC1
SCHEMBL31402608 0.82 KMT2A (0.60) KMT2AMEN1SMN1; SMN2AKR1C3BCAT2
SCHEMBL372 0.82 KMT2A (0.60) KMT2AMEN1SMN1; SMN2AKR1C3BCAT2

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-1668015-B1 CUCURBITURIL ASSEMBLY AND USES THEREOF TECHNION RES & DEV FOUNDATION (IL) 2013-08-21 EP disclosed
US-7875713-B2 affinity pairs that can be efficiently utilized without being limited by factors such as chemical versatility, stability, irreversibility; for affinity chromatography, affinity labeling, immobilization, bioconjugation, immunohistochemical staining, flow cytometry, in situ hybridization, genetic mapping TECHNION RESEARCH & DEVELOPMENT FOUNDATION LTD. (IL) 2011-01-25 US disclosed
US-20060292570-A1 Novel synthetic binding pairs and uses thereof TECHNION RESEARCH & DEVELOPMENT FOUNDATION LTD. (IL) 2006-12-28 US disclosed
EP-1668015-A2 SYNTHETIC BINDING PAIRS COMPRISING CUCURBITURIL DERIVATIVES AND POLYAMMONIUM COMPOUNDS AND USES THEREOF TECHNION RESEARCH AND DEVELOPMENT FOUNDATION, LTD. (IL) 2006-06-14 EP disclosed
WO-2005023816-A2 SYNTHETIC BINDING PAIRS COMPRISING CUCURBITURIL DERIVATIVES AND POLYAMMONIUM COMPOUDS AND USES THEREOF TECHNION RESEARCH & DEVELOPMENT FOUNDATION LTD. (IL) 2005-03-17 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-20060292570-A1 Novel synthetic binding pairs and uses thereof DBNL, GEMIN5, PICALM CES2 1634/4885CES1 4527/4885KMT2A 1916/4885

“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.