Pentane

Pentane

SCHEMBL9455374

CCCCC.[Li]CCCC

nearest known ligand 0.58

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Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.58
LMNA P02545 3/20 0.58
THRB P10828 1/20 0.43
ALDH1A1 P00352 4/20 0.35
TDP1 Q9NUW8 1/20 0.35
SLC22A1 O15245 3/20 0.33
SLC22A2 O15244 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
DNM1 Q05193 5/20 0.32
HSD17B10 Q99714 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 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
SCHEMBL6369906 0.96 TSHR (0.50) TSHRLMNATHRBALDH1A1TDP1
SCHEMBL9292699 0.96
SCHEMBL811 0.96
SCHEMBL625170 0.92
SCHEMBL3441314 0.92
Barium SCHEMBL11668415 0.92
SCHEMBL11720580 0.92
Ammonia Solution, Strong SCHEMBL9903410 0.92
Phosphine SCHEMBL20135762 0.92
SCHEMBL1617151 0.92

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115417939-B Acrylonitrile high-regularity high-molecular-weight anionic polymerization process initiated by propionitrile anions 新创碳谷集团有限公司 2023-05-19 CN claimed
CN-115417939-A High-regularity high-molecular-weight anion polymerization process for acrylonitrile initiated by propionitrile anion 新创碳谷集团有限公司 2022-12-02 CN claimed
WO-2024147631-A1 POLYCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING SAME 에스에프씨 주식회사 2024-07-11 WO disclosed
CN-113195508-B Compound and organic light emitting device comprising the same 株式会社LG化学 2024-06-28 CN disclosed
US-12006336-B2 Polycyclic compound and organic light-emitting device comprising same LG CHEM, LTD. (KR) 2024-06-11 US disclosed
CN-112106216-B Organic light emitting device 株式会社LG化学 2024-05-31 CN disclosed
CN-113994497-B Organic light emitting device 株式会社LG化学 2024-05-31 CN disclosed
US-11991922-B2 Organic light-emitting device LG CHEM, LTD. (KR) 2024-05-21 US disclosed
CN-118005666-A Boron-nitrogen polycyclic compound and organic electroluminescent device comprising same 石家庄诚志永华显示材料有限公司 2024-05-10 CN disclosed
CN-114621270-B Condensed ring aromatic compound and application thereof in electroluminescent device 清华大学 2024-04-12 CN disclosed
CN-114621269-B Condensed ring aromatic compound and application thereof in electroluminescent device 清华大学 2024-04-09 CN disclosed
WO-2020022770-A1 POLYCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME 주식회사 엘지화학 2020-01-30 WO disclosed
CN-104817060-B A kind of preparation method of two dimension lithium doping Graphene 常州大学 2016-08-17 CN disclosed
CN-101821267-B Compounds for the treatment of hepatitis c BRISTOL MYERS SQUIBB CO 2013-07-10 CN disclosed
CN-101503413-B Preparation of 5,6-dihydro-6-methieno [2,3-b] thiopyran-2-sulfonic acid amide-4-keto NANCHANG INST OF AERONAUTICAL TECHNOLOGY 2011-10-12 CN disclosed
CN-101821267-A Compounds for the treatment of hepatitis c BRISTOL MYERS SQUIBB CO 2010-09-01 CN disclosed
CN-101503413-A Preparation of 5,6-dihydro-6-methieno [2,3-b] thiopyran-2-sulfonic acid amide-4-keto NANCHANG INST OF AERONAUTICAL (CN) 2009-08-12 CN disclosed
CN-101503412-A Preparation of 5,6- dihydro-4-hydroxy-(S)-6- methylthieno [2,3-b] thiopyran NANCHANG INST OF AERONAUTICAL (CN) 2009-08-12 CN disclosed
CN-1651418-A Human epidermis growth factor acceptor 2 tyrosinase inhibitor UNIV ZHONGSHAN (CN) 2005-08-10 CN disclosed
US-5189048-A Hypotensive agents E. I. DU PONT DE NEMOURS AND COMPANY (US) 1993-02-23 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-12006336-B2 Polycyclic compound and organic light-emitting device comprising same CCNL2, CRY2, CRY1 TSHR 3742/4885LMNA 880/4885THRB 3901/4885

“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.