SCHEMBL5852063

SCHEMBL5852063

CCCCOCC(C)(C)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.43
CYP4F2 P78329 1/20 0.42
CYP4A11 Q02928 1/20 0.42
ALDH1A1 P00352 1/20 0.41
CES2 O00748 2/20 0.41
CES1 P23141 1/20 0.41
ATM Q13315 1/20 0.39
HCAR2 Q8TDS4 1/20 0.38
PPARA Q07869 2/20 0.38
CYP3A4 P08684 1/20 0.38
RARB P10826 1/20 0.37
HPGD P15428 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ACLY P53396 1/20 0.35

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
SCHEMBL16174063 0.96 TSHR (0.45) TSHRCYP4F2CYP4A11ALDH1A1CES2
SCHEMBL3807287 0.94 CES2 (0.48) CYP4F2CYP4A11CES2CES1HCAR2
SCHEMBL3687624 0.86 CYP2C9 (0.37) TSHRCYP4F2CYP4A11ALDH1A1CES2
SCHEMBL15026697 0.86 CYP3A4 (0.55) TSHRCYP4F2CYP4A11CYP3A4HPGD
SCHEMBL475085 0.83 ALDH1A1 (0.39) TSHRALDH1A1ATMHCAR2PPARA
SCHEMBL13140448 0.83 TSHR (0.43) TSHRALDH1A1CES2CES1ATM
SCHEMBL15012918 0.83 CYP4F2 (0.40) TSHRCYP4F2CYP4A11PPARASMN1; SMN2
SCHEMBL6863715 0.82 TSHR (0.39) TSHRALDH1A1CES2CES1ATM
SCHEMBL15026682 0.81 CYP3A4 (0.61) TSHRCYP3A4HPGDSMN1; SMN2
SCHEMBL13894974 0.81 TSHR (0.41) TSHRALDH1A1CES2CES1ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1417287-B1 NOVEL COMPOSITIONS CONTAINING ACETOXYLATED FATTY ACIDS OR FATTY ACID DERIVATES, IN PARTICULAR LUBRICANT AND PRESSURE TRANSMITTING COMPOSITIONS, THE PREPARATION AND USE THEREOF FUCHS PETROLUB AG (DE) 2012-12-12 EP claimed
US-7101831-B2 Compositions of material, especially lubricants and pressure transmitting means, the production and use thereof FUCHS PETROLUB AG (DE) 2006-09-05 US claimed
EP-1016698-B1 Use of a solvent composition containing an oxyisobutyric acid ester as a solvent in coatings, adhesives and printing inks MITSUBISHI RAYON CO (JP) 2004-09-22 EP claimed
EP-1417287-A1 NOVEL COMPOSITIONS CONTAINING ACETOXYLATED FATTY ACIDS OR FATTY ACID DERIVATES, IN PARTICUALR LUBRICANT AND PRESSURE TRANSMITTING COMPOSITIONS, THE PREPARATION AND USE THEREOF Fuchs Petrolub AG (DE) 2004-05-12 EP claimed
US-20030186823-A1 Novel compositions of material, especially lubricants and pressure transmitting means, the production and use thereof FUCHS PETROLUB SE (DE) 2003-10-02 US claimed
EP-0629671-B1 Solvent composition MITSUBISHI RAYON CO (JP) 2002-03-27 EP claimed
WO-2001053438-A1 NOVEL COMPOSITIONS OF MATERIAL, ESPECIALLY LUBRICANTS AND PRESSURE TRANSMITTING MEANS, THE PRODUCTION AND USE THEREOF FUCHS PETROLUB AG (DE) 2001-07-26 WO claimed
US-20170240547-A1 IMIDAZO(4,5-B) PYRIDIN-2-YL AMIDES AS KV7 CHANNEL ACTIVATORS CHANNEL BIOSCIENCES, LLC 2017-08-24 US disclosed
US-9650376-B2 Imidazo(4,5-B) pyridin-2-yl amides as KV7 channel activators KNOPP BIOSCIENCES LLC (US) 2017-05-16 US disclosed
US-8372859-B2 CGRP receptor antagonists with tertiary amide, sulfonamide, carbamate and urea end groups Merck, Sharp & Dohme Corp. (US) 2013-02-12 US disclosed
EP-1417287-B1 NOVEL COMPOSITIONS CONTAINING ACETOXYLATED FATTY ACIDS OR FATTY ACID DERIVATES, IN PARTICULAR LUBRICANT AND PRESSURE TRANSMITTING COMPOSITIONS, THE PREPARATION AND USE THEREOF FUCHS PETROLUB AG (DE) 2012-12-12 EP disclosed
US-20100292263-A1 CGRP RECEPTOR ANTAGONISTS WITH TERTIARY AMIDE, SULFONAMIDE, CARBAMITE AND UREA GROUPS MERCK SHARP & DOHME LLC 2010-11-18 US disclosed
WO-2008127584-A1 CGRP RECEPTOR ANTAGONISTS WITH TERTIARY AMIDE, SULFONAMIDE, CARBAMATE AND UREA END GROUPS MERCK & CO., INC. (US) 2008-10-23 WO disclosed
US-7101831-B2 Compositions of material, especially lubricants and pressure transmitting means, the production and use thereof FUCHS PETROLUB AG (DE) 2006-09-05 US disclosed
EP-1417287-A1 NOVEL COMPOSITIONS CONTAINING ACETOXYLATED FATTY ACIDS OR FATTY ACID DERIVATES, IN PARTICUALR LUBRICANT AND PRESSURE TRANSMITTING COMPOSITIONS, THE PREPARATION AND USE THEREOF Fuchs Petrolub AG (DE) 2004-05-12 EP disclosed
US-20030186823-A1 Novel compositions of material, especially lubricants and pressure transmitting means, the production and use thereof FUCHS PETROLUB SE (DE) 2003-10-02 US disclosed
WO-2001053438-A1 NOVEL COMPOSITIONS OF MATERIAL, ESPECIALLY LUBRICANTS AND PRESSURE TRANSMITTING MEANS, THE PRODUCTION AND USE THEREOF FUCHS PETROLUB AG (DE) 2001-07-26 WO disclosed
EP-0404303-A1 Glass fiber-reinforced resin composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1990-12-27 EP disclosed
EP-0356194-A2 Thermoplastic resin composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1990-02-28 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 (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-20030186823-A1 Novel compositions of material, especially lubricants and pressure transmitting means, the production and use thereof SLC27A2, SLC27A1, ELOVL1 TSHR 4744/4885CYP4F2 1681/4885CYP4A11 1314/4885
US-20170240547-A1 IMIDAZO(4,5-B) PYRIDIN-2-YL AMIDES AS KV7 CHANNEL ACTIVATORS KCNA7, KCNA2, KCNK17 TSHR 1996/4885CYP4F2 451/4885CYP4A11 768/4885
US-20100292263-A1 CGRP RECEPTOR ANTAGONISTS WITH TERTIARY AMIDE, SULFONAMIDE, CARBAMITE AND UREA GROUPS CALCR, QRFPR, CALCRL TSHR 199/4885CYP4F2 2703/4885CYP4A11 2693/4885

“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.