SCHEMBL981886

SCHEMBL981886

Cc1ccccc1-c1ccccc1C(=O)C(=O)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CES2 O00748 11/20 0.52
CES1 P23141 10/20 0.52
MYC P01106 1/20 0.49
RAB9A P51151 2/20 0.43
MCL1 Q07820 1/20 0.42
NPC1 O15118 1/20 0.41
MAPK14 Q16539 1/20 0.41
HPGD P15428 2/20 0.41
POLB P06746 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
SCHEMBL29972427 0.88 CES2 (0.67) CES2CES1RAB9A
SCHEMBL3627482 0.84 CES2 (0.61) CES2CES1RAB9ANPC1HPGD
Benzil SCHEMBL1515663 0.84 CES2 (0.61) CES2CES1RAB9ANPC1HPGD
SCHEMBL28116434 0.83 AKR1C3 (0.53) MYCMAPK14POLB
Benzil SCHEMBL10476771 0.83 CES2 (0.54) CES2CES1MYCRAB9AHPGD
Benzil SCHEMBL10531234 0.83 CES2 (0.54) CES2CES1MYCRAB9AHPGD
Benzil SCHEMBL10476773 0.83 CES2 (0.54) CES2CES1MYCRAB9AHPGD
Benzil SCHEMBL10476776 0.83 CES2 (0.54) CES2CES1MYCRAB9AHPGD
SCHEMBL166604 0.83 CES2 (0.54) CES2CES1MYCRAB9AHPGD
SCHEMBL8801437 0.82 CES2 (0.50) CES2CES1RAB9ANPC1HPGD

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 6 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
EP-0772601-A1 4,5-SUBSTITUTED IMIDAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1997-05-14 EP 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 4527/4885MYC 968/4885

“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.