SCHEMBL301180

SCHEMBL301180

CCP(CC)C1CCCCC1

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SHBG P04278 1/20 0.36
CYP1A2 P05177 1/20 0.35
ADH1C P00326 1/20 0.30
ADH1A P07327 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
SCHEMBL301175 0.97 SHBG (0.32) SHBGCYP1A2
SCHEMBL15659506 0.81 CYP1A2 (0.41) CYP1A2
SCHEMBL15657345 0.79 CYP1A2 (0.40) CYP1A2
SCHEMBL15656820 0.79 CYP1A2 (0.40) CYP1A2
SCHEMBL301047 0.78 CYP1A2 (0.37) SHBGCYP1A2ADH1A
SCHEMBL10903935 0.78 CYP1A2 (0.38) CYP1A2
SCHEMBL301055 0.77 SHBG (0.36) SHBGCYP1A2ADH1CADH1A
SCHEMBL301199 0.74 CYP1A2 (0.33) CYP1A2
SCHEMBL15655683 0.74 SHBG (0.35) SHBGCYP1A2
SCHEMBL301285 0.74 CYP1A2 (0.44) CYP1A2

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 179 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
US-12492281-B2 Polyisocyanurate materials as electrical potting compounds COVESTRO DEUTSCHLAND AG (DE) 2025-12-09 US disclosed
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
CN-112204065-B Process for preparing polyisocyanate polymers and polyisocyanurate plastics 科思创知识产权两合公司 2023-03-28 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
US-11319402-B2 Method for producing a polyisocyanate polymer and a polyisocyanurate plastic COVESTRO INTELLECTUAL PROPERTY GMBH & CO. KG (DE) 2022-05-03 US disclosed
US-20220127407-A1 POLYISOCYANURATE MATERIALS AS ELECTRICAL POTTING COMPOUNDS COVESTRO DEUTSCHLAND AG (DE) 2022-04-28 US disclosed
EP-3507321-B1 PROCESS FOR PRODUCING POLYISOCYANURATE PLASTICS BY MEANS OF PHOSPHINE CATALYSIS COVESTRO INTELLECTUAL PROPERTY GMBH & CO KG (DE) 2022-03-02 EP disclosed
EP-3931185-A1 POLYISOCYANURATE MATERIALS AS ELECTRICAL POTTING COMPOUNDS Covestro Intellectual Property GmbH & Co. KG (DE) 2022-01-05 EP disclosed
US-4443590-A ISOCYANATE COMPONENT HAVING OXADIAZINETRIONE RING, ACTIVE HYDROGEN COMPONENT, LEWIS BASE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1984-04-17 US disclosed
US-4443597-A HAVING OXADIAZINETRIONE RINGS FROM REACTION OF BIS(ISOCYANATOMETHYL) CYCLOHEXANE AND CARBON DIOXIDE TAKEDA CHEMICAL INDUSTRIES, INC. (JP) 1984-04-17 US disclosed
US-4412072-A STABILIZED WITH A PEROXIDE, SULFUR, POLYSULFIDE, METAL SULFIDE OR A HALOGEN TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1983-10-25 US disclosed
EP-0040741-B1 PROCESS FOR THE PREPARATION OF CHLOROFORMIC-ACID ARYL ESTERS BAYER AG (DE) 1983-06-08 EP disclosed
US-4366102-A Process for the preparation of chloroformic acid aryl esters BAYER AKTIENGESELLSCHAFT (DE) 1982-12-28 US disclosed
EP-0043651-A2 Polyisocyanates Takeda Chemical Industries, Ltd. (JP) 1982-01-13 EP disclosed
EP-0042701-A2 Isocyanate composition Takeda Chemical Industries, Ltd. (JP) 1981-12-30 EP disclosed
EP-0040741-A1 Process for the preparation of chloroformic-acid aryl esters BAYER AG (DE) 1981-12-02 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 SHBG 512/4885CYP1A2 905/4885ADH1C 1062/4885

“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.