Butane

Butane

SCHEMBL1966868

CCCC.O=[PH](O)c1ccccc1

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ GLA P06280 1/20 0.39
▸ CES2 O00748 4/20 0.38
▸ CES1 P23141 4/20 0.38
▸ LMNA P02545 1/20 0.36
▸ HPGD P15428 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ TP53 P04637 2/20 0.35
▸ PSIP1 O75475 1/20 0.34
▸ ALOX5 P09917 1/20 0.34
▸ PGR P06401 1/20 0.34
▸ ADRA2A P08913 1/20 0.34
▸ ADRA2B P18089 1/20 0.34
▸ HTR2A P28223 1/20 0.34
▸ HRH1 P35367 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ POLB P06746 1/20 0.33

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
Alcohol SCHEMBL28175078 0.91 TSHR (0.39) TSHRALDH1A1GLACES2CES1
Ethylamine SCHEMBL11203396 0.88 ALDH1A1 (0.38) TSHRALDH1A1GLACES2CES1
SCHEMBL29036705 0.88 ALDH1A1 (0.38) TSHRALDH1A1GLACES2CES1
Ethane SCHEMBL28571246 0.87 TSHR (0.33) TSHRALDH1A1GLACES2CES1
SCHEMBL36107 0.87 — —
Propionic Acid SCHEMBL7092961 0.86 FFAR3 (0.43) TSHRALDH1A1GLACES2CES1
SCHEMBL28009748 0.85 TSHR (0.32) TSHRALDH1A1GLACES2CES1
SCHEMBL11054168 0.85 NPSR1 (0.33) TSHRALDH1A1GLACES2CES1
SCHEMBL23780657 0.85 TSHR (0.38) TSHRALDH1A1GLACES2CES1
SCHEMBL3951569 0.85 TDP1 (0.36) TSHRALDH1A1GLACES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117903195-A Method for preparing (2-oxo-2-arylethyl) (phenyl) phosphonate alkyl ester compound 湖南理工学院 2024-04-19 — — CN claimed
CN-117396581-A Stable AIGS film 纳米系统公司 2024-01-12 — — CN claimed
CN-117903195-A Method for preparing (2-oxo-2-arylethyl) (phenyl) phosphonate alkyl ester compound 湖南理工学院 2024-04-19 — — CN disclosed
CN-117396581-A Stable AIGS film 纳米系统公司 2024-01-12 — — CN disclosed
EP-4269469-A1 PROCESS FOR PREPARING POLYAMIDE BY COPOLYMERIZATION OF MULTIPLE COMPONENTS, POLYAMIDE PREPARED THEREBY, AND COMPOSITION COMPRISING SAME Hanwha Solutions Corporation (KR) 2023-11-01 — — EP disclosed
CN-116635479-A Method for producing polyamides by copolymerization of several components, polyamides produced therefrom and compositions containing the polyamides 韩华思路信(株) 2023-08-22 — — CN disclosed
CN-109071979-B Acylphosphine oxide photoinitiators 爱克发有限公司 2022-07-01 — — CN disclosed
US-11053404-B2 Acylphosphine oxide photoinitiators AGFA NV (BE) 2021-07-06 — — US disclosed
CN-111647017-A Novel solvent-free synthesis method of ethyl 2,4, 6-trimethylbenzoyl phenyl hypophosphite 宁波海曙琼杰化工技术研发工作室 2020-09-11 — — CN disclosed
EP-3241874-B1 ACYLPHOSPHINE OXIDE PHOTOINITIATORS AGFA NV (BE) 2019-08-14 — — EP disclosed
US-20190144695-A1 ACYLPHOSPHINE OXIDE PHOTOINITIATORS AGFA NV (BE) 2019-05-16 — — US disclosed
EP-2497871-B1 FIRE PROTECTION COMPARTMENT PASS-THROUGH SECTION STRUCTURE SEKISUI CHEMICAL CO LTD (JP) 2019-01-02 — — EP disclosed
CN-109071979-A ACYLPHOSPHINE OXIDE PHOTOINITIATORS 爱克发有限公司 2018-12-21 — — CN disclosed
EP-3241874-A1 ACYLPHOSPHINE OXIDE PHOTOINITIATORS Agfa Graphics NV (BE) 2017-11-08 — — EP disclosed
EP-2336217-B1 POLYESTER POLYMERIZATION CATALYST AND METHOD FOR PRODUCING POLYESTER USING SAME TORAY INDUSTRIES (JP) 2015-01-14 — — EP disclosed
US-8816041-B2 Polyester polymerization catalyst and method for producing polyester using the same TORAY INDUSTRIES, INC. (JP) 2014-08-26 — — US disclosed
EP-2497871-A1 FIRE PROTECTION COMPARTMENT PASS-THROUGH SECTION STRUCTURE Sekisui Chemical Co., Ltd. (JP) 2012-09-12 — — EP disclosed
US-20110178265-A1 POLYESTER POLYMERIZATION CATALYST AND METHOD FOR PRODUCING POLYESTER USING THE SAME TORAY INDUSTRIES, INC. (JP) 2011-07-21 — — US disclosed
EP-2336217-A1 POLYESTER POLYMERIZATION CATALYST AND METHOD FOR PRODUCING POLYESTER USING SAME Toray Industries, Inc. (JP) 2011-06-22 — — EP disclosed
US-4155946-A CATALYST CONSISTS OF A NICKEL COMPOUND, A TRIALKYL ALUMINUM COMPOUND; PHOSPHOROUS COMPOUND AND A HALOGENATED PHENOL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1979-05-22 — — 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 (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-20190144695-A1 ACYLPHOSPHINE OXIDE PHOTOINITIATORS AGPAT5, AGPAT2, TST TSHR 4791/4885ALDH1A1 334/4885GLA 4063/4885
US-20110178265-A1 POLYESTER POLYMERIZATION CATALYST AND METHOD FOR PRODUCING POLYESTER USING THE SAME MGAM, MANBA, MAN2A1 TSHR 3729/4885ALDH1A1 2352/4885GLA 321/4885
US-11053404-B2 Acylphosphine oxide photoinitiators AGPAT5, AGPAT2, TST TSHR 4791/4885ALDH1A1 334/4885GLA 4063/4885

“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.

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