SCHEMBL814927

SCHEMBL814927

CCC[C](CC)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CES2 O00748 5/20 0.52
CES1 P23141 5/20 0.52
ATM Q13315 1/20 0.46
ESR1 P03372 4/20 0.46
PTGS2 P35354 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
HPGD P15428 1/20 0.44
LMNA P02545 1/20 0.41
CYP19A1 P11511 1/20 0.39
ESR2 Q92731 1/20 0.39
ALOX5 P09917 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL818007 0.90 CES2 (0.56) CES2CES1ATMESR1PTGS2
SCHEMBL6324909 0.87 HSD17B3 (0.43) CES2CES1ESR1PTGS2SMN1; SMN2
SCHEMBL815083 0.86 PTGS2 (0.57) CES2CES1ATMESR1PTGS2
SCHEMBL451258 0.85 ATM (0.54) CES2CES1ATMESR1PTGS2
SCHEMBL815888 0.85 CES2 (0.56) CES2CES1ESR1PTGS2LMNA
SCHEMBL5390647 0.84 CES2 (0.50) CES2CES1ATMESR1PTGS2
SCHEMBL814748 0.83 CES2 (0.58) CES2CES1PTGS2L3MBTL1LMNA
SCHEMBL817443 0.82 PTGS2 (0.57) CES2CES1ESR1PTGS2SMN1; SMN2
SCHEMBL6062883 0.80 ALDH1A1 (0.50) CES2CES1ATMSMN1; SMN2L3MBTL1
SCHEMBL8994830 0.80 CES2 (0.47) CES2CES1ESR1PTGS2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106065003-A Sorbitol derivatives and its synthetic dbs kinds of polyolefin nucleating agent and its preparation method and application thereof 苏州亚培克生物科技有限公司 2016-11-02 CN claimed
EP-2797996-A1 REFLECTOR FOR LIGHT-EMITTING DEVICES Ticona LLC (US) 2014-11-05 EP claimed
WO-2013101277-A1 REFLECTOR FOR LIGHT-EMITTING DEVICES TICONA LLC (US) 2013-07-04 WO claimed
US-7247687-B2 Late transition metal catalysts for olefin polymerization and oligomerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-07-24 US 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
EP-3066065-A1 CATALYTIC HYDROGENATION FOR PRODUCING AMINES FROM CARBOXYLIC ACID AMIDES, CARBOXYLIC ACID DIAMIDES, DI-, TRI-, OR POLYPEPETIDES, OR PEPTIDE AMIDES Evonik Degussa GmbH (DE) 2016-09-14 EP disclosed
EP-1960411-B1 HALOGEN SUBSTITUTED METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION EXXONMOBIL CHEM PATENTS INC (US) 2016-08-31 EP disclosed
US-9163046-B2 Process for producing substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2015-10-20 US disclosed
WO-2015067450-A1 CATALYTIC HYDROGENATION FOR PRODUCING AMINES FROM CARBOXYLIC ACID AMIDES, CARBOXYLIC ACID DIAMIDES, DI-, TRI-, OR POLYPEPETIDES, OR PEPTIDE AMIDES EVONIK INDUSTRIES AG (DE) 2015-05-14 WO disclosed
EP-2797996-A1 REFLECTOR FOR LIGHT-EMITTING DEVICES Ticona LLC (US) 2014-11-05 EP disclosed
US-8546595-B2 Halogen substituted heteroatom-containing metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2013-10-01 US disclosed
US-4069377-A Polymerization of ethylenically unsaturated monomers employing secondary-aliphatic α-substituted azoalkanes PENNWALT CORPORATION 1978-01-17 US disclosed
US-4048423-A Process for polymerizing unsaturated monomers and unsaturated polyester resins employing unsymmetrical tertiary-aliphatic azoalkanes PENNWALT CORPORATION (US) 1977-09-13 US disclosed
US-4025502-A POLYMERIZATION CATALYSTS, CURING AGENTS PENNWALT CORPORATION (US) 1977-05-24 US disclosed
US-4009157-A POLYESTER FOAMING AGENTS, FREE RADICAL CATALYSTS PENNWALT CORPORATION (US) 1977-02-22 US disclosed
US-4007165-A VINYL POLYMERIZATION INITIATORS POLYESTER CURING AGENTS PENNWALT CORPORATION (US) 1977-02-08 US disclosed
US-3992368-A FROM A HYDRAZONE PENNWALT CORPORATION (US) 1976-11-16 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-20060047094-A1 Late transition metal catalysts for olefin polymerization and oligomerization MLX, LOX, LMTK3 CES2 4281/4885CES1 4486/4885ATM 3933/4885

“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.