SCHEMBL869080

SCHEMBL869080

COC(=O)C/C=C/CC(=O)OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.53
HSD17B10 Q99714 2/20 0.48
MGAM O43451 1/20 0.48
GAA P10253 1/20 0.48
SI P14410 1/20 0.48
MGAM2 Q2M2H8 1/20 0.48
CYP4F2 P78329 2/20 0.46
CYP4A11 Q02928 2/20 0.46
LMNA P02545 3/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 4/20 0.40
CYP2D6 P10635 1/20 0.40
ALOX15 P16050 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 2/20 0.39
TET2 Q6N021 1/20 0.39
MEN1 O00255 1/20 0.39
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 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
SCHEMBL821076 1.00 TSHR (0.53) TSHRHSD17B10MGAMGAASI
SCHEMBL869082 1.00 TSHR (0.53) TSHRHSD17B10MGAMGAASI
SCHEMBL820772 0.92 CYP4F2 (0.46) TSHRHSD17B10MGAMGAASI
SCHEMBL11335823 0.92 TSHR (0.46) TSHRHSD17B10MGAMGAASI
SCHEMBL11598060 0.89
SCHEMBL9245608 0.89
SCHEMBL2427567 0.89 ALDH1A1 (0.60) TSHRHSD17B10MGAMGAASI
SCHEMBL10988428 0.89
SCHEMBL872827 0.89
SCHEMBL872828 0.89

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6143851-A Process for preparation of addition products of difunctional telechelic polyolefins from cyclic olefins by olefin metathesis reaction BP AMOCO CORPORATION (US) 2000-11-07 US claimed
EP-0231399-A1 A process for the production of dicarboxylic acid esters TEXACO DEVELOPMENT CORPORATION (US) 1987-08-12 EP claimed
US-4575562-A CARBONYLATION, ESTERIFICATION, QUINONE OXIDANT, HYDROGENATION MONSANTO COMPANY (US) 1986-03-11 US claimed
US-4552976-A Process for oxidative dicarbonylation of butadiene TEXACO INC. (US) 1985-11-12 US claimed
US-4293717-A Process for preparing aldehydes and diols BAYER AKTIENGESELLSCHAFT (DE) 1981-10-06 US claimed
US-4189599-A Preparation of dimethyl adipate by the hydrogenation of dimethyl hex-3-endioate ATLANTIC RICHFIELD COMPANY (US) 1980-02-19 US claimed
JP-5310639-A None JP disclosed
US-20240254283-A1 BASE-CATALYZED ISOMERIZATION OF MUCONIC ACID DERIVATIVES IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. 2024-08-01 US disclosed
EP-3160514-B1 CONJUGATES DERIVED FROM NON-STEROIDAL ANTI-INFLAMMATORY DRUGS AND METHODS OF USE THEREOF IN IMAGING REILEY PHARMACEUTICALS INC (US) 2024-07-31 EP disclosed
CN-118255685-A Tricyclic compound, pharmaceutical composition and application thereof 珂阑(上海)医药科技有限公司 2024-06-28 CN disclosed
US-20240190790-A1 CONJUGATES DERIVED FROM NON-STEROIDAL ANTI-INFLAMMATORY DRUGS AND METHODS OF USE THEREOF IN IMAGING REILEY PHARMACEUTICALS INC (US) 2024-06-13 US disclosed
EP-3782976-B1 SUSTAINABLE PROCESS FOR PRODUCING MUCONIC, HEXENEDIOIC AND ADIPIC ACID (AND THEIR ESTERS) FROM ALDARIC ACIDS BY HETEROGENEOUS CATALYSIS KEMIJSKI INST (SI) 2023-10-18 EP disclosed
WO-2022061275-A1 BASE-CATALYZED ISOMERIZATION OF MUCONIC ACID DERIVATIVES IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2022-03-24 WO disclosed
US-4293717-A Process for preparing aldehydes and diols BAYER AKTIENGESELLSCHAFT (DE) 1981-10-06 US disclosed
US-4236023-A Preparation of unsaturated monoesters by the catalytic oxidative carbonylation of diolefins with an enol ether or 1-alkoxycycloalkene ATLANTIC RICHFIELD COMPANY (US) 1980-11-25 US disclosed
US-4195184-A Preparation of unsaturated monoesters by catalytic oxidative carbonylation of diolefins ATLANTIC RICHFIELD COMPANY (US) 1980-03-25 US disclosed
US-4189599-A Preparation of dimethyl adipate by the hydrogenation of dimethyl hex-3-endioate ATLANTIC RICHFIELD COMPANY (US) 1980-02-19 US disclosed
US-4189599-A Preparation of dimethyl adipate by the hydrogenation of dimethyl hex-3-endioate ATLANTIC RICHFIELD COMPANY (US) 1980-02-19 US disclosed
US-4189599-A Preparation of dimethyl adipate by the hydrogenation of dimethyl hex-3-endioate ATLANTIC RICHFIELD COMPANY (US) 1980-02-19 US disclosed
US-3972944-A BORON OXIDE, BORIC ACID OR BORATE AND VANADIUM OR MOLYBDENUM CONTAINING CATALYST BAYER AKTIENGESELLSCHAFT (DT) 1976-08-03 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 (2 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-20240254283-A1 BASE-CATALYZED ISOMERIZATION OF MUCONIC ACID DERIVATIVES MUC1, F12, CA13 TSHR 3399/4885HSD17B10 1046/4885MGAM 93/4885
US-20240190790-A1 CONJUGATES DERIVED FROM NON-STEROIDAL ANTI-INFLAMMATORY DRUGS AND METHODS OF USE THEREOF IN IMAGING PTGES3, PTGES, HPGDS TSHR 4163/4885HSD17B10 658/4885MGAM 3741/4885

“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.