SCHEMBL301104

SCHEMBL301104

CCCP(C1CCCCC1)C1CCCCC1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.37
SHBG P04278 1/20 0.33
ADH1A P07327 2/20 0.32
ADH1C P00326 1/20 0.32
NAAA Q02083 2/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA4 P22748 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
SCHEMBL7535948 1.00 CYP1A2 (0.37) CYP1A2SHBGADH1AADH1CNAAA
Ammonia Solution, Strong SCHEMBL4079351 0.97 CYP1A2 (0.36) CYP1A2SHBGADH1AADH1C
SCHEMBL1323167 0.97 CYP1A2 (0.33) CYP1A2CA1CA2CA4
SCHEMBL27824835 0.91 CYP1A2 (0.32) CYP1A2
SCHEMBL28901892 0.91 CYP1A2 (0.32) CYP1A2
SCHEMBL9017493 0.85 CYP1A2 (0.44) CYP1A2NAAA
SCHEMBL301126 0.85 CYP1A2 (0.44) CYP1A2NAAA
SCHEMBL1323223 0.83 CYP1A2 (0.43) CYP1A2NAAA
SCHEMBL10597326 0.83 CYP1A2 (0.43) CYP1A2NAAA
SCHEMBL17529697 0.83 CYP1A2 (0.43) CYP1A2NAAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113754597-B Benzhydryl piperazine compound containing linear olefin and preparation method thereof 凯美克(上海)医药科技有限公司 2024-07-16 CN claimed
CN-118344244-A Preparation method of deuterated compound based on alkyl alcohol 大连理工大学 2024-07-16 CN claimed
CN-111417627-B Hydrogenation of Imines Using RU Complexes 弗门尼舍有限公司 2024-07-12 CN claimed
CN-118026930-A Isoquinoline derivative and synthesis method thereof 湖南师范大学 2024-05-14 CN claimed
CN-113402375-B Formation of alpha, beta-unsaturated carboxylic acids and salts thereof from metal lactones and anionic polyelectrolytes 切弗朗菲利浦化学公司 2024-04-02 CN claimed
CN-117567514-A Method for preparing spiro phosphine ligand 凯特立斯(深圳)科技有限公司 2024-02-20 CN claimed
CN-116724021-A Synthesis of polyfluorinated aryl and heteroaryl carboxamides 巴斯夫欧洲公司 2023-09-08 CN claimed
CN-116535388-A Preparation method of chlorantraniliprole 江苏七洲绿色科技研究院有限公司 2023-08-04 CN claimed
CN-113224313-B Metal organic phosphine frame glass modified metal negative current collector and preparation method thereof 北京化工大学 2022-12-27 CN claimed
CN-115315419-A Preparation of aromatic carboxamides by palladium-catalyzed carbonylation 巴斯夫欧洲公司 2022-11-08 CN claimed
CN-101443416-A Curable silicone resin composition and cured body thereof DOW CORNING TORAY CO LTD (JP) 2009-05-27 CN claimed
EP-2024439-A1 CURABLE SILICONE RESIN COMPOSITION AND CURED BODY THEREOF Dow Corning Toray Co., Ltd. (JP) 2009-02-18 EP claimed
WO-2007132932-A1 CURABLE SILICONE RESIN COMPOSITION AND CURED BODY THEREOF DOW CORNING TORAY CO., LTD. (JP) 2007-11-22 WO claimed
EP-1678132-A1 PROCESS FOR THE PRODUCTION OF LACTAMS Davy Process Technology Limited (GB) 2006-07-12 EP claimed
US-7067654-B2 Preparation of polyisocyanates containing uretdione groups BAYER MATERIALSCIENCE AG (DE) 2006-06-27 US claimed
WO-2005051907-A1 PROCESS FOR THE PRODUCTION OF LACTAMS DAVY PROCESS TECHNOLOGY LIMITED (GB) 2005-06-09 WO claimed
US-20040110915-A1 for production of polyurethanes via catalytic polymerization with trimethylphosphine; improved storage stability BAYER AKTIENGESELLSCHAFT (DE) 2004-06-10 US claimed
CN-1502605-A Prepartion of polyisocyanates containing uretdione groups 2004-06-09 CN claimed
US-20040106789-A1 Preparation of polyisocyanates containing uretdione groups COVESTRO DEUTSCHLAND AG (DE) 2004-06-03 US claimed
CN-1030708-A Catalyst composition SHELL INT RESEARCH (NL) 1989-02-01 CN claimed

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-20040106789-A1 Preparation of polyisocyanates containing uretdione groups UROD, PUF60, UTS2R CYP1A2 905/4885SHBG 512/4885ADH1A 1899/4885

“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.