SCHEMBL301047

SCHEMBL301047

CCCP(CCC)C1CCCCC1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.37
SHBG P04278 1/20 0.33
NAAA Q02083 2/20 0.31
ADH1A P07327 1/20 0.30
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
SCHEMBL301199 0.97 CYP1A2 (0.33) CYP1A2CA1CA2CA4
Bromide SCHEMBL6699332 0.95 CYP1A2 (0.34) CYP1A2SHBG
Bromide SCHEMBL6700721 0.92 CYP1A2 (0.31) CYP1A2
SCHEMBL15657670 0.89 CYP1A2 (0.40) CYP1A2NAAA
SCHEMBL15656186 0.89 CYP1A2 (0.40) CYP1A2NAAA
Bromide SCHEMBL6698631 0.88 CYP1A2 (0.33) CYP1A2SHBG
SCHEMBL301285 0.85 CYP1A2 (0.44) CYP1A2NAAA
Bromide SCHEMBL6700814 0.85 CYP1A2 (0.30) CYP1A2
SCHEMBL15659220 0.85 CYP1A2 (0.44) CYP1A2NAAA
SCHEMBL1324087 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 60 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7067654-B2 Preparation of polyisocyanates containing uretdione groups BAYER MATERIALSCIENCE AG (DE) 2006-06-27 US claimed
CN-1511858-A Low monomer content poly isocyanic ester containing urea diketone group 拜尔公司 2004-07-14 CN claimed
US-20040110915-A1 for production of polyurethanes via catalytic polymerization with trimethylphosphine; improved storage stability BAYER AKTIENGESELLSCHAFT (DE) 2004-06-10 US claimed
US-20040106789-A1 Preparation of polyisocyanates containing uretdione groups COVESTRO DEUTSCHLAND AG (DE) 2004-06-03 US claimed
CN-113631545-B Polyisocyanurate materials as electrical potting compounds 科思创德国股份有限公司 2025-01-07 CN disclosed
WO-2024098840-A1 ISOBUTYLENE-BASED CATIONIC SALT POLYMER, PREPARATION METHOD THEREFOR, USE THEREOF, AND ANTIBACTERIAL POLYMER MATERIAL 中国石油化工股份有限公司 2024-05-16 WO disclosed
CN-118027253-A Isobutenyl quaternary phosphonium salt ionic polymer, preparation method and application thereof, and antibacterial high polymer material 中国石油化工股份有限公司 2024-05-14 CN disclosed
CN-109642015-B Method for producing polyisocyanurate plastics by means of phosphine catalysis 科思创德国股份有限公司 2022-09-23 CN disclosed
EP-3794049-B1 METHOD FOR PRODUCING A POLYISOCYANATE POLYMER AND A POLYISOCYANURATE PLASTIC COVESTRO INTELLECTUAL PROPERTY GMBH & CO KG (DE) 2022-06-08 EP disclosed
EP-3931185-A1 POLYISOCYANURATE MATERIALS AS ELECTRICAL POTTING COMPOUNDS Covestro Intellectual Property GmbH & Co. KG (DE) 2022-01-05 EP disclosed
EP-2735581-B1 COMPOSITION AND POLYMER ASAHI CHEMICAL IND (JP) 2021-07-14 EP disclosed
EP-3794050-A1 METHOD FOR PREPARING COMPOSITE MATERIALS MADE OF POLYETHYLENE FIBERS HAVING AN ULTRA-HIGH MOLECULAR WEIGHT AND CROSS-LINKED POLYISOCYANATES Covestro Intellectual Property GmbH & Co. KG (DE) 2021-03-24 EP disclosed
US-20060173152-A1 Uretdione formation in solution BAYER MATERIALSCIENCE AG 2006-08-03 US disclosed
EP-1683818-A2 Uretdione formation in solution Bayer MaterialScience AG (DE) 2006-07-26 EP disclosed
US-7067654-B2 Preparation of polyisocyanates containing uretdione groups BAYER MATERIALSCIENCE AG (DE) 2006-06-27 US disclosed
CN-1511858-A Low monomer content poly isocyanic ester containing urea diketone group 拜尔公司 2004-07-14 CN disclosed
US-20040110915-A1 for production of polyurethanes via catalytic polymerization with trimethylphosphine; improved storage stability BAYER AKTIENGESELLSCHAFT (DE) 2004-06-10 US disclosed
EP-1426393-A2 Low monomer urethdione-groups containing polyisocyanates Bayer MaterialScience AG (DE) 2004-06-09 EP disclosed
US-20040106789-A1 Preparation of polyisocyanates containing uretdione groups COVESTRO DEUTSCHLAND AG (DE) 2004-06-03 US disclosed
EP-1422223-A1 Preparation of polyisocyanates containing uretdione groups with cycloalkylphosphines as catalysts Bayer MaterialScience AG (DE) 2004-05-26 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 (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 512/4885NAAA 1200/4885

“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.