SCHEMBL4247813

SCHEMBL4247813

CCOC(=O)C1=CC2CCC1C2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.38
AKR1C3 P42330 1/20 0.37
AKR1C2 P52895 1/20 0.37
RAB9A P51151 1/20 0.37
FDFT1 P37268 1/20 0.37
CYP19A1 P11511 1/20 0.37
CA12 O43570 3/20 0.36
CA1 P00915 3/20 0.36
CA2 P00918 3/20 0.36
CA7 P43166 3/20 0.36
CA9 Q16790 3/20 0.36
CA14 Q9ULX7 3/20 0.36
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
MAPT P10636 2/20 0.36
ABL1 P00519 1/20 0.36
HTT P42858 1/20 0.36
RIN1 Q13671 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36

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
SCHEMBL28515052 1.00 TSHR (0.38) TSHRAKR1C3AKR1C2RAB9AFDFT1
SCHEMBL18053347 0.90 TSHR (0.40) TSHRAKR1C3AKR1C2RAB9AFDFT1
SCHEMBL5608084 0.87 ALDH1A1 (0.41) TSHRRAB9ACYP19A1ESR1KDM4E
SCHEMBL4850104 0.87 TDP1 (0.33) AKR1C3AKR1C2RAB9AFDFT1CYP19A1
SCHEMBL7568323 0.86 ALDH1A1 (0.39) TSHRRAB9ACYP19A1CA12CA1
SCHEMBL513140 0.82 CYP19A1 (0.39) TSHRCYP19A1KDM4EALDH1A1
SCHEMBL7122610 0.82 MAPK1 (0.39) CYP19A1
SCHEMBL3926283 0.81 SLC6A3 (0.40) TSHRCYP19A1KDM4EALDH1A1
SCHEMBL31064743 0.81 SLC6A3 (0.40) TSHRCYP19A1KDM4EALDH1A1
SCHEMBL29723671 0.81 SLC6A3 (0.40) TSHRCYP19A1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3514221-B1 USE AS A PERFUME MATERIAL MITSUBISHI GAS CHEMICAL CO (JP) 2022-01-19 EP disclosed
US-20200283696-A1 PERFUME COMPOSITION MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2020-09-10 US disclosed
US-20190241833-A1 PERFUME COMPOSITION MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2019-08-08 US disclosed
EP-3514221-A1 AROMATIC COMPOSITION Mitsubishi Gas Chemical Company, Inc. (JP) 2019-07-24 EP disclosed
WO-2012118233-A1 ADDITION POLYMERIZATION METHOD, PREPOLYMERIZED CATALYTIC COMPONENT FOR ADDITION POLYMERIZATION, AND METHOD FOR PRODUCING ADDITION POLYMER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-09-07 WO disclosed
US-7902109-B2 Organometallic compound, catalyst for polymerization of polar group-containing norbornene and process for producing norbornene polymer FUJIFILM CORPORATION (JP) 2011-03-08 US disclosed
US-20090247729-A1 ORGANOMETALLIC COMPOUND, CATALYST FOR POLYMERIZATION OF POLAR GROUP-CONTAINING NORBORNENE AND PROCESS FOR PRODUCING NORBORNENE POLYMER FUJIFILM CORPORATION (JP) 2009-10-01 US disclosed
US-7442752-B2 Nobonene-ester based addition polymer and method for preparing the same LG CHEM, LTD. (KR) 2008-10-28 US disclosed
CN-100386357-C Norbornene-based ring-opening polymerization polymer, product of hydrogenation of norbornene-based ring-opening polymerization polymer, and processes for producing these ZEON CORP (JP) 2008-05-07 CN disclosed
EP-1521791-B1 NOBONENE-ESTER BASED ADDITION POLYMER AND METHOD FOR PREPARING THE SAME LG CHEMICAL LTD (KR) 2007-01-10 EP disclosed
WO-2006121058-A1 ORGANOMETALLIC COMPOUND, CATALYST FOR POLYMERIZATION OF POLAR GROUP-CONTAINING NORBORNENE AND PROCESS FOR PRODUCING NORBORNENE POLYMER FUJIFILM CORPORATION (JP) 2006-11-16 WO disclosed
US-20060177767-A1 Photosensitive resin composition, thin film panel including a layer made from photosensitive resin composition, and method for manufacturing thin film panel SAMSUNG ELECTRONICS CO., LTD. 2006-08-10 US disclosed
EP-1521791-A4 NOBONENE-ESTER BASED ADDITION POLYMER AND METHOD FOR PREPARING THE SAME LG CHEMICAL LTD (KR) 2006-05-31 EP disclosed
CN-1659205-A Norbornene-based ring-opening polymer, hydrogenation product of norbornene-based ring-opening polymer, and method for producing same ZEON CORP (JP) 2005-08-24 CN disclosed
EP-1521791-A1 NOBONENE-ESTER BASED ADDITION POLYMER AND METHOD FOR PREPARING THE SAME LG Chem, Ltd. (KR) 2005-04-13 EP disclosed
US-20050010006-A1 Nobonene-ester based addition polymer and method for preparing the same LG CHEM, LTD. (KR) 2005-01-13 US disclosed
WO-2004007587-A1 NOBONENE-ESTER BASED ADDITION POLYMER AND METHOD FOR PREPARING THE SAME LG CHEM, LTD. (KR) 2004-01-22 WO disclosed
US-20020009667-A1 Radiation-sensitive resin composition JSR CORPORATION (JP) 2002-01-24 US disclosed
US-4180636-A MAGNESIUM HALIDE, TITANIUM COMPOUND ELECTRON DONOR COMPOUND, TRIALKYL ALUMINUM CATALYST SHOWA DENKO KABUSHIKI KAISHA (JP) 1979-12-25 US disclosed
US-4056543-A FROM A SUBSTITUTED NORBORNENE AND A HALOFORMATE, ALKYLLITHIUM AMIDE CATALYST EASTMAN KODAK COMPANY (US) 1977-11-01 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 (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-20190241833-A1 PERFUME COMPOSITION H1-0, H1-2, CUTA TSHR 4704/4885AKR1C3 759/4885AKR1C2 1150/4885
US-20090247729-A1 ORGANOMETALLIC COMPOUND, CATALYST FOR POLYMERIZATION OF POLAR GROUP-CONTAINING NORBORNENE AND PROCESS FOR PRODUCING NORBORNENE POLYMER DDT, PHOSPHO1, POF1B TSHR 3892/4885AKR1C3 4128/4885AKR1C2 3899/4885
US-20200283696-A1 PERFUME COMPOSITION H1-0, H1-2, CUTA TSHR 4704/4885AKR1C3 759/4885AKR1C2 1150/4885

“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.