Butanedione

Butanedione

SCHEMBL4368674

CC(=O)C(C)=O.CCOC(C)OCC

nearest known ligand 0.67

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.67
ALDH1A1 P00352 5/20 0.39
HSD17B10 Q99714 1/20 0.39
TSHR P16473 3/20 0.39
THPO P40225 1/20 0.39
THRB P10828 1/20 0.38
GLO1 Q04760 1/20 0.34
TDP1 Q9NUW8 2/20 0.33
ALOX15 P16050 1/20 0.32
MGAM O43451 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
SOAT1 P35610 1/20 0.32

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
Acetone SCHEMBL590699 0.92 LMNA (0.71) LMNAALDH1A1HSD17B10TSHRTHRB
Pyruvate SCHEMBL1893245 0.90 LMNA (0.60) LMNAALDH1A1HSD17B10TSHRTHRB
Acetic Acid SCHEMBL222953 0.89 LMNA (0.67) LMNAALDH1A1HSD17B10TSHRTHRB
Acetic Acid SCHEMBL23907968 0.89 LMNA (0.67) LMNAALDH1A1HSD17B10TSHRTHRB
Acetic Acid SCHEMBL8529879 0.86 LMNA (0.63) LMNAALDH1A1HSD17B10TSHRTHRB
Acetone SCHEMBL3833129 0.86 LMNA (0.63) LMNAALDH1A1HSD17B10TSHRTHRB
Butanone SCHEMBL3163812 0.86 LMNA (0.63) LMNAALDH1A1HSD17B10TSHRTHRB
Acetamide SCHEMBL6279784 0.86 LMNA (0.63) LMNAALDH1A1HSD17B10TSHRTHRB
Acetone SCHEMBL1036956 0.86 LMNA (0.63) LMNAALDH1A1HSD17B10TSHRTHRB
SCHEMBL9557330 0.86 LMNA (0.63) LMNAALDH1A1HSD17B10TSHRTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105859529-B Method for producing asymmetric conjugated diyne compound and method for producing Z, Z-conjugated diene compound using the same 信越化学工业株式会社 2020-10-16 CN disclosed
EP-3053906-B1 METHOD FOR PRODUCING ASYMMETRIC CONJUGATED DIYNE COMPOUND AND METHOD FOR PRODUCING Z,Z-CONJUGATED DIENE COMPOUND USING THE SAME SHINETSU CHEMICAL CO (JP) 2017-12-27 EP disclosed
US-9845304-B2 Method for producing asymmetric conjugated diyne compound and method for producing Z,Z-conjugated diene compound using the same SHIN-ETSU CHEMICAL CO., LTD. (JP) 2017-12-19 US disclosed
US-9475831-B2 Formylpyrrole-based heterocycles for nucleic acid attachment to supports ILLUMINA, INC. (US) 2016-10-25 US disclosed
CN-103483236-B Prepare method and the intermediate of 5-biphenyl-4-yl-2-methylpentanoic acid derivatives 诺华股份有限公司 2016-09-28 CN disclosed
US-20160229829-A1 Method for Producing Asymmetric Conjugated Diyne Compound and Method for Producing Z,Z-Conjugated Diene Compound Using the Same SHIN-ETSU CHEMICAL CO., LTD (JP) 2016-08-11 US disclosed
EP-3053906-A1 METHOD FOR PRODUCING ASYMMETRIC CONJUGATED DIYNE COMPOUND AND METHOD FOR PRODUCING Z,Z-CONJUGATED DIENE COMPOUND USING THE SAME Shin-Etsu Chemical Co., Ltd. (JP) 2016-08-10 EP disclosed
US-20160137677-A1 FORMYLPYRROLE-BASED HETEROCYCLES FOR NUCLEIC ACID ATTACHMENT TO SUPPORTS ILLUMINA, INC. 2016-05-19 US disclosed
US-9273074-B2 Formylpyrrole-based heterocycles for nucleic acid attachment to supports ILLUMINA, INC. (US) 2016-03-01 US disclosed
US-20150031833-A1 FORMYLPYRROLE-BASED HETEROCYCLES FOR NUCLEIC ACID ATTACHMENT TO SUPPORTS ILLUMINA, INC. 2015-01-29 US disclosed
US-20020098441-A1 Resin useful for resist, resist composition and pattern forming process using the same KABUSHIKI KAISHA TOSHIBA (JP) 2002-07-25 US disclosed
US-6410748-B1 Alicycli c group-containing monomer KABUSHIKI KAISHA TOSHIBA (JP) 2002-06-25 US disclosed
US-6303266-B1 FOR PATTERN HAVING TRANSPARENCY AGAINST SHORT-WAVELENGTH LIGHT AND DRY-ETCHING RESISTANCE CAN BE FORMED BY ALKALI DEVELOPMENT WITH HIGH RESOLUTION KABUSHIKI KAISHA TOSHIBA (JP) 2001-10-16 US disclosed
US-6291129-B1 LIGHT SENSITIVE ELEMENT WITH UNSATURATED POLYMERS KABUSHIKI KAISHA TOSHIBA (JP) 2001-09-18 US disclosed
US-6071670-A PHOTORESIST RESIN COMPRISING PHOTOACID GENERATING COMPOUND AND AN ACID HYDROLYZABLE OLIGOMER HAVING ALICYCLIC OR POLYCONDENSED AROMATIC BACKBONE; ALKALI DEVELOPMENT WITH HIGH RESOLUTION, DRY ETCH RESISTANCE KABUSHIKI KAISHA TOSHIBA (JP) 2000-06-06 US disclosed
EP-0685444-B1 Aromatic compounds and their use in perfumery FIRMENICH & CIE (CH) 2000-04-05 EP disclosed
US-5932391-A CONTAINING AN ACYCLIC COMPOUND WHICH IS A VINYL POLYMERBEING LIGHT ABSORBENT KABUSHIKI KAISHA TOSHIBA (JP) 1999-08-03 US disclosed
US-5863699-A FORMS A PATTERN THROUGH LIGHT-EXPOSURE WITH EITHER ARGON FLUORIDE OR FLUORINE EXCIMER LASERS, COMPRISES A COMPOUND HAVING EITHER AN ACID-DECOMPOSABLE OR ACID-CROSSLINKABLE GROUP KABUSHIKI KAISHA TOSHIBA (JP) 1999-01-26 US disclosed
EP-0685444-A1 Aromatic compounds and their use in perfumery FIRMENICH SA (CH) 1995-12-06 EP disclosed
EP-0414903-A1 NEW THIOPROLINE DERIVATIVE KABUSHIKI KAISHA YAKULT HONSHA (JP) 1991-03-06 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-20150031833-A1 FORMYLPYRROLE-BASED HETEROCYCLES FOR NUCLEIC ACID ATTACHMENT TO SUPPORTS CCNY, FBL, NSUN2 LMNA 316/4885ALDH1A1 1434/4885HSD17B10 1707/4885
US-20160137677-A1 FORMYLPYRROLE-BASED HETEROCYCLES FOR NUCLEIC ACID ATTACHMENT TO SUPPORTS CCNY, FBL, NSUN2 LMNA 316/4885ALDH1A1 1434/4885HSD17B10 1707/4885

“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.