SCHEMBL5953499

SCHEMBL5953499

CCC1=Cc2c(C)cccc2C1

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.30
CYP2A6 P11509 1/20 0.30
PNMT P11086 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
SCHEMBL16393791 0.81 GABRA1 (0.39) PNMT
SCHEMBL5953900 0.79 ADRA2A (0.40) PNMT
SCHEMBL2975173 0.79 GABRA1 (0.33)
SCHEMBL4035804 0.77 CYP2A6 (0.36) CYP1A2CYP2A6
SCHEMBL30477217 0.77 CYP2A6 (0.36) CYP1A2CYP2A6
SCHEMBL7053653 0.77 GABRA1 (0.36) CYP1A2
SCHEMBL7056142 0.77 HTR2A (0.40)
SCHEMBL5953689 0.76 HTR2A (0.39) CYP1A2PNMT
SCHEMBL1583270 0.75 DPP4 (0.39) PNMT
SCHEMBL9075727 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112105654-A Curable resin mixture, curable resin composition, and cured product thereof 日本化药株式会社 2020-12-18 CN disclosed
WO-2020031935-A1 CURABLE RESIN MIXTURE, CURABLE RESIN COMPOSITION, AND CURED PRODUCT 日本化薬株式会社 2020-02-13 WO disclosed
US-20060052620-A1 Preparation of substituted indenes BASELL POLYOLEFINE GMBH (DE) 2006-03-09 US disclosed
CN-1653021-A Preparation of substituted indenes BASELL POLYOLEFINE GMBH (DE) 2005-08-10 CN disclosed
EP-1492749-A1 PREPARATION OF SUBSTITUTED INDENES Basell Polyolefine GmbH (DE) 2005-01-05 EP disclosed
WO-2003084904-A1 PREPARATION OF SUBSTITUTED INDENES BASELL POLYOLEFINE GMBH (DE) 2003-10-16 WO disclosed
EP-0985674-B1 ORGANIC COMPOUNDS CONTAINING SILICON OR GERMANIUM, TRANSITION METAL COMPLEXES, CATALYST FOR ALPHA-OLEFIN POLYMERIZATION, AND PROCESSES FOR PRODUCING ALPHA-OLEFIN POLYMERS MITSUBISHI CHEM CORP (JP) 2003-04-23 EP disclosed
EP-0773204-B1 Process for the preparation of an indene and use thereof for the preparation of metallocenes BASELL POLYOLEFINE GMBH (DE) 2002-12-04 EP disclosed
US-6255515-B1 COORDINATION POLYMERIZATION CATALYSTS MITSUBISHI CHEMICAL CORPORATION (JP) 2001-07-03 US disclosed
EP-0985674-A1 ORGANIC COMPOUNDS CONTAINING SILICON OR GERMANIUM, TRANSITION METAL COMPLEXES, CATALYST FOR $g(a)-OLEFIN POLYMERIZATION, AND PROCESSES FOR PRODUCING $g(a)-OLEFIN POLYMERS MITSUBISHI CHEMICAL CORPORATION (JP) 2000-03-15 EP disclosed
EP-0617044-B1 Process for preparing cyclopentadienyl group-containing silicon compound or cyclopentadienyl group-containing germanium compound MITSUI CHEMICALS INC (JP) 1999-01-20 EP disclosed
EP-0530647-B1 Metallocenes, catalysts containing these and process for the manufacture of olefinic polymers by using these catalysts HOECHST AG (DE) 1998-01-28 EP disclosed
EP-0773204-A2 Process for the preparation of an indene and use thereof for the preparation of metallocenes HOECHST AKTIENGESELLSCHAFT (DE) 1997-05-14 EP disclosed
US-5360921-A REACTING LITHIUM, SODIUM OR POTASSIUM SALT OF A CYCLOPENTADIENE DERIVATIVE WITH A SILICON OR GERMANIUM HALIDE COMPOUND IN THE PRESENCE OF A CYANIDE OR A THIOCYANATE MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1994-11-01 US disclosed
EP-0617044-A2 Process for preparing cyclopentadienyl group-containing silicon compound or cyclopentadienyl group-containing germanium compound MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1994-09-28 EP disclosed
US-5329033-A Metallocene catalyst, indene containing ligands, alumoxane cocatalyst HOECHST AKTIENGESELLSCHAFT (DE) 1994-07-12 US disclosed
US-5278264-A Catalytic polymerizing in presence of a transition metal metallocene HOECHST AG (DE) 1994-01-11 US disclosed
EP-0530647-A1 Metallocenes, catalysts containing these and process for the manufacture of olefinic polymers by using these catalysts HOECHST AKTIENGESELLSCHAFT (DE) 1993-03-10 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-20060052620-A1 Preparation of substituted indenes INTS9, CYP1A2, INF2 CYP1A2 2/4885CYP2A6 95/4885PNMT 480/4885

“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.