SCHEMBL847022

SCHEMBL847022

CC(C)(C)C(C)(C(=O)O)C(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.50
ALDH1A1 P00352 2/20 0.50
CYP2C19 P33261 2/20 0.38
CYP2D6 P10635 1/20 0.38
HIF1A Q16665 1/20 0.38
TP53 P04637 1/20 0.35
HMGCR P04035 1/20 0.33
CHRM1 P11229 1/20 0.33
TBXA2R P21731 1/20 0.33
ADRA1A P35348 1/20 0.33
FFAR3 O14843 1/20 0.33
LCK P06239 1/20 0.33
FYN P06241 1/20 0.33
TET2 Q6N021 1/20 0.31
BLM P54132 1/20 0.30

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
SCHEMBL28462729 0.92 TSHR (0.50) TSHRALDH1A1CYP2C19CYP2D6HIF1A
SCHEMBL25634365 0.83 TSHR (0.42) TSHRALDH1A1CYP2C19CYP2D6HIF1A
SCHEMBL26032461 0.74 TSHR (0.47) TSHRALDH1A1CYP2C19CYP2D6HIF1A
SCHEMBL3371689 0.72 TSHR (0.44) TSHRALDH1A1CYP2C19CYP2D6HIF1A
SCHEMBL105343 0.72 ALDH1A1 (0.44) TSHRALDH1A1CYP2C19CYP2D6HIF1A
SCHEMBL3367414 0.72 TSHR (0.47) TSHRALDH1A1CYP2C19CYP2D6HIF1A
SCHEMBL28705429 0.72 ALDH1A1 (0.44) TSHRALDH1A1CYP2C19CYP2D6HIF1A
SCHEMBL3368017 0.72 TSHR (0.44) TSHRALDH1A1CYP2C19CYP2D6HIF1A
Pivalate SCHEMBL332912 0.70 TSHR (0.61) TSHRALDH1A1CYP2C19CYP2D6HIF1A
Pivalate SCHEMBL5116637 0.70 TSHR (0.61) TSHRALDH1A1CYP2C19CYP2D6HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8940855-B2 Polymers bearing pendant pentafluorophenyl ester groups, and methods of synthesis and functionalization thereof INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2015-01-27 US disclosed
US-8779166-B2 Polymers bearing pendant pentafluorophenyl ester groups, and methods of synthesis and functionalization thereof INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2014-07-15 US disclosed
US-8536291-B2 Hydrogel compositions and methods of preparation thereof INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2013-09-17 US disclosed
US-20130217853-A1 POLYMERS BEARING PENDANT PENTAFLUOROPHENYL ESTER GROUPS, AND METHODS OF SYNTHESIS AND FUNCTIONALIZATION THEREOF INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2013-08-22 US disclosed
US-8455612-B2 Polymers bearing pendant pentafluorophenyl ester groups, and methods of synthesis and functionalization thereof INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2013-06-04 US disclosed
US-8450504-B2 Polymers bearing pendant pentafluorophenyl ester groups, and methods of synthesis and functionalization thereof INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2013-05-28 US disclosed
US-8450505-B2 Polymers bearing pendant pentafluorophenyl ester groups, and methods of synthesis and functionalization thereof INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2013-05-28 US disclosed
US-20120322949-A1 Hydrogel Compositions and Methods of Preparation Thereof INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2012-12-20 US disclosed
US-8263715-B2 Hydrogel compositions and methods of preparation thereof INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2012-09-11 US disclosed
US-20120178891-A1 POLYMERS BEARING PENDANT PENTAFLUOROPHENYL ESTER GROUPS, AND METHODS OF SYNTHESIS AND FUNCTIONALIZATION THEREOF CENTRAL GLASS CO., LTD. (JP) 2012-07-12 US disclosed
US-8143369-B2 Polymers bearing pendant pentafluorophenyl ester groups, and methods of synthesis and functionalization thereof INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2012-03-27 US disclosed
US-8044194-B2 Cyclic carbonyl monomers functionalized with carbohydrates, polymers derived therefrom, and methods of preparation thereof INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2011-10-25 US disclosed
US-20110054064-A1 Hydrogel Compositions and Methods of Preparation Thereof INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2011-03-03 US disclosed
US-20100317838-A1 CYCLIC CARBONYL MONOMERS FUNCTIONALIZED WITH CARBOHYDRATES, POLYMERS DERIVED THEREFROM, AND METHODS OF PREPARATION THEREOF INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2010-12-16 US disclosed
US-20100305281-A1 POLYMERS BEARING PENDANT PENTAFLUOROPHENYL ESTER GROUPS, AND METHODS OF SYNTHESIS AND FUNCTIONALIZATION THEREOF INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2010-12-02 US disclosed
US-5434276-A Process for making N-acyl taurides FINETEX, INC. (US) 1995-07-18 US disclosed
WO-1995018095-A1 PROCESS FOR MAKING N-ACYL TAURIDES FINETEX, INC. (US) 1995-07-06 WO disclosed
US-4352759-A CRYSTALLIZATION IN ALCOHOL, AMIDATION CHASE MANHATTAN BANK, THE NATIONAL ASSOCIATION 1982-10-05 US disclosed
US-4233229-A REACTING ACID CHLORIDE, TAURINE SALT, ALKALI METAL HYDROXIDE; PRECIPITATING ALKALI METAL CHLORIDE GAF CORPORATION (US) 1980-11-11 US disclosed
EP-0002675-A1 Preparation of salt-free N-acyl taurines GAF CORPORATION (US) 1979-07-11 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 (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-20100317838-A1 CYCLIC CARBONYL MONOMERS FUNCTIONALIZED WITH CARBOHYDRATES, POLYMERS DERIVED THEREFROM, AND METHODS OF PREPARATION THEREOF FUT6, FUT5, WASF2 TSHR 4657/4885ALDH1A1 557/4885CYP2C19 3302/4885
US-20100305281-A1 POLYMERS BEARING PENDANT PENTAFLUOROPHENYL ESTER GROUPS, AND METHODS OF SYNTHESIS AND FUNCTIONALIZATION THEREOF PFAS, PAM, PCNA TSHR 1728/4885ALDH1A1 618/4885CYP2C19 3264/4885

“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.