SCHEMBL818007

SCHEMBL818007

CCC[C](CCC)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CES2 O00748 5/20 0.56
CES1 P23141 5/20 0.56
ESR1 P03372 2/20 0.48
PTGS2 P35354 1/20 0.48
L3MBTL1 Q9Y468 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HPGD P15428 1/20 0.47
ATM Q13315 1/20 0.44
LMNA P02545 2/20 0.43
ALOX5 P09917 1/20 0.41
TP53 P04637 1/20 0.41
KMT2A Q03164 1/20 0.40
MAPT P10636 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL817443 0.91 PTGS2 (0.57) CES2CES1ESR1PTGS2L3MBTL1
SCHEMBL814927 0.90 CES2 (0.52) CES2CES1ESR1PTGS2L3MBTL1
SCHEMBL815843 0.89 CES2 (0.56) CES2CES1ESR1PTGS2LMNA
SCHEMBL5390647 0.88 CES2 (0.50) CES2CES1ESR1PTGS2L3MBTL1
SCHEMBL1093948 0.87 NR4A2 (0.55) CES2CES1ESR1PTGS2L3MBTL1
SCHEMBL816937 0.87 CES2 (0.58) CES2CES1PTGS2L3MBTL1LMNA
SCHEMBL6318579 0.86 HSD17B3 (0.46) CES2CES1ESR1PTGS2L3MBTL1
SCHEMBL815720 0.85 PTGS2 (0.61) CES2CES1ESR1PTGS2L3MBTL1
SCHEMBL8994830 0.84 CES2 (0.47) CES2CES1ESR1PTGS2L3MBTL1
SCHEMBL155800 0.84 TDP1 (0.55) CES2CES1PTGS2SMN1; SMN2HPGD

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 92 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008029278-A2 CONJUGATES OF ANTITHROMBIN BINDING OLIGOSACCHARIDE DERIVATIVES AND THERAPEUTIC PROTEINS ENDOTIS PHARMA S.A. (FR) 2008-03-13 WO claimed
EP-1886696-A1 Conjugates of antithrombin binding oligosaccharide derivatives and therapeutic proteins Endotis Pharma (FR) 2008-02-13 EP claimed
WO-2007135417-A1 BENZOTRIAZEPINONE DERIVATIVES JAMES BLACK FOUNDATION (GB) 2007-11-29 WO claimed
US-7247687-B2 Late transition metal catalysts for olefin polymerization and oligomerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-07-24 US claimed
WO-2006129120-A9 BENZOTRIAZEPINONE DERIVATIVES JAMES BLACK FOUNDATION (GB) 2007-03-22 WO claimed
WO-2006129120-A2 BENZOTRIAZEPINONE DERIVATIVES JAMES BLACK FOUNDATION (GB) 2006-12-07 WO claimed
EP-1521758-B1 LATE TRANSITION METAL CATALYSTS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION EXXONMOBIL CHEM PATENTS INC (US) 2006-05-24 EP claimed
US-20060047094-A1 Late transition metal catalysts for olefin polymerization and oligomerization EXXONMOBIL CHEMICAL PATENTS INC. 2006-03-02 US claimed
EP-1521758-A1 LATE TRANSITION METAL CATALYSTS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION Exxonmobil Chemical Patents Inc. (US) 2005-04-13 EP claimed
WO-2004007509-A1 LATE TRANSITION METAL CATALYSTS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION EXXONMOBIL CHEMICAL PATENTS INC. (US) 2004-01-22 WO claimed
US-11931415-B2 Ophthalmic compositions THE UNIVERSITY OF LIVERPOOL (GB) 2024-03-19 US disclosed
EP-3496760-B1 OPHTHALMIC COMPOSITIONS UNIV LIVERPOOL (GB) 2022-02-09 EP disclosed
US-20210220335-A1 NITROIMIDAZOLE FORMULATIONS IRP Health Pty Ltd (AU) 2021-07-22 US disclosed
EP-3810137-A1 NITROIMIDAZOLE FORMULATIONS IRP Health Pty Ltd (AU) 2021-04-28 EP disclosed
WO-2021072473-A1 ANTIMICROBIALS AS FEED PRESERVATIVES IRP Health Pty Ltd (AU) 2021-04-22 WO disclosed
US-5192799-A Coumaran group containing amine compounds and their acid addition salts and quaternary ammonium salts and the use thereof as anti arrhythmic agents and as psychotropic agents MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1993-03-09 US disclosed
EP-0424525-A1 NOVEL AMINES AND THEIR USE MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1991-05-02 EP disclosed
CN-1043319-A New amine and uses thereof MITSUI PHARMACEUTICALS (JP) 1990-06-27 CN disclosed
US-4133830-A RECYCLING BY-PRODUCTS TO SUCCESSIVE RUNS TO IMPROVE YIELD STAUFFER CHEMICAL COMPANY (US) 1979-01-09 US disclosed
US-4130583-A AUTOGENOUS PRESSURE STAUFFER CHEMICAL COMPANY (US) 1978-12-19 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 (3 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-20210220335-A1 NITROIMIDAZOLE FORMULATIONS PHB1, COX5B, CYP3A5 CES2 3314/4885CES1 1629/4885ESR1 4380/4885
US-20060047094-A1 Late transition metal catalysts for olefin polymerization and oligomerization MLX, LOX, LMTK3 CES2 4281/4885CES1 4486/4885ESR1 1108/4885
US-11931415-B2 Ophthalmic compositions CRYAB, CRYAA, PDE6D CES2 2565/4885CES1 2344/4885ESR1 2411/4885

“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.