Butadiene

Butadiene

SCHEMBL3389124

C=CC(=C)c1ccccc1.C=CC=C

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.50
ALDH1A1 P00352 3/20 0.36
TSHR P16473 2/20 0.36
CES2 O00748 2/20 0.36
CES1 P23141 2/20 0.36
DAO P14920 1/20 0.36
NAPRT Q6XQN6 1/20 0.36
MAPK1 P28482 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MAOA P21397 2/20 0.35
MAOB P27338 2/20 0.35
TGM2 P21980 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
XBP1 P17861 1/20 0.34
ATM Q13315 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL108144 0.95 AKT1 (0.54) AKT1ALDH1A1TSHRCES2CES1
Bicarbonate SCHEMBL979087 0.88 AKT1 (0.60) AKT1ALDH1A1TSHRCES2CES1
Styrene SCHEMBL10784459 0.84 ALDH1A1 (0.61) AKT1ALDH1A1TSHRTDP1MAOB
Acetone SCHEMBL10909688 0.84 AKT1 (0.56) AKT1ALDH1A1TSHRCES2CES1
SCHEMBL10552544 0.84 AKT1 (0.45) AKT1ALDH1A1TSHRCES2CES1
Styrene SCHEMBL10534518 0.84 ALDH1A1 (0.61) AKT1ALDH1A1TSHRTDP1MAOB
SCHEMBL10555536 0.84 AKT1 (0.45) AKT1ALDH1A1TSHRCES2CES1
Styrene SCHEMBL10493188 0.84 ALDH1A1 (0.61) AKT1ALDH1A1TSHRTDP1MAOB
Acetaldehyde SCHEMBL10909685 0.84 AKT1 (0.50) AKT1ALDH1A1TSHRCES2CES1
SCHEMBL10749601 0.79 AKT1 (0.41) AKT1ALDH1A1CES2CES1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114773528-A Vinyl styrene-butadiene latex and preparation method and application thereof 山东京博中聚新材料有限公司 2022-07-22 CN claimed
US-20160244471-A1 PHENOXYCYCLOTRIPHOSPHAZENE ACTIVE ESTER, HALOGEN-FREE RESIN COMPOSITION AND USES THEREOF SHENGYI TECHNOLOGY CO., LTD. (CN) 2016-08-25 US claimed
EP-3037475-A1 PHENOXY CYCLOTRIPHOSPHAZENE ACTIVE ESTER, HALOGEN-FREE RESIN COMPOSITION AND USE THEREOF Shengyi Technology Co., Ltd. (CN) 2016-06-29 EP claimed
EP-2964706-A1 THREADED TUBULAR COMPONENT PROTECTED BY A FILM VALLOUREC OIL AND GAS FRANCE (FR) 2016-01-13 EP claimed
US-20160002476-A1 THREADED TUBULAR COMPONENT PROTECTED BY A FILM VALLOUREC OIL AND GAS FRANCE (FR) 2016-01-07 US claimed
WO-2014135499-A1 THREADED TUBULAR COMPONENT PROTECTED BY A FILM VALLOUREC OIL AND GAS FRANCE (FR) 2014-09-12 WO claimed
US-6245861-B1 CONTROLLING CONCENTRATION HERCULES INCORPORATED 2001-06-12 US claimed
US-6080809-A DECREASING STRAIN MODULUS WITHOUT DECREASING HARDNESS IN SILICA TREAD COMPOUNDS IN RUBBER TIRES BRIDGESTONE/FIRESTONE, INC. (US) 2000-06-27 US claimed
US-11525049-B2 Polar additive for the synthesis of copolymers of vinylaromatic monomer and conjugated diene monomer having high vinylaromatic and low vinyl contents SYNTHOS S.A. (PL) 2022-12-13 US disclosed
EP-3601389-B1 POLAR ADDITIVE FOR THE SYNTHESIS OF COPOLYMERS OF VINYLAROMATIC MONOMER AND CONJUGATED DIENE MONOMER HAVING HIGH VINYLAROMATIC AND LOW VINYL CONTENTS Synthos Sa (PL) 2021-11-17 EP disclosed
CN-111892669-A Hydrogenated amino functionalized styrene-butadiene rubber and preparation method thereof 沈阳化工研究院有限公司 2020-11-06 CN disclosed
US-20200255625-A1 POLAR ADDITIVE FOR THE SYNTHESIS OF COPOLYMERS OF VINYLAROMATIC MONOMER AND CONJUGATED DIENE MONOMER HAVING HIGH VINYLAROMATIC AND LOW VINYL CONTENTS SYNTHOS DWORY 7 SPOLKA Z OGRANICZONA ODPOWIEDZIALNOSCIA (PL) 2020-08-13 US disclosed
US-10689525-B2 Corrosion preventative film CATERPILLAR INC. (US) 2020-06-23 US disclosed
US-10689524-B2 Corrosion preventative film CATERPILLAR INC. (US) 2020-06-23 US disclosed
US-5583185-A Process for hydrogenation in solution of the double bonds of conjugated dienes, and hydrogenated block copolymer produced REPSOL QUIMICA S.A. (ES) 1996-12-10 US disclosed
EP-0464478-B1 Solid state hydroxylation of rubbers GOODYEAR TIRE & RUBBER (US) 1995-08-16 EP disclosed
US-5294663-A Blends GENERAL TIRE, INC. (US) 1994-03-15 US disclosed
EP-0464478-A1 Solid state hydroxylation of rubbers THE GOODYEAR TIRE & RUBBER COMPANY (US) 1992-01-08 EP disclosed
US-5070150-A FREE RADICAL CATALYST THE GOODYEAR TIRE & RUBBER COMPANY (US) 1991-12-03 US disclosed
US-4761442-A CHELATE COMPOUNDS, ACID ACTIVATORS, FILM FORMING POLYMERS SFS STADLER HEERBRUGG AG (CH) 1988-08-02 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 (1 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-20160244471-A1 PHENOXYCYCLOTRIPHOSPHAZENE ACTIVE ESTER, HALOGEN-FREE RESIN COMPOSITION AND USES THEREOF PFAS, PGLS, ELL AKT1 3123/4885ALDH1A1 2788/4885TSHR 2806/4885

“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.