SCHEMBL4035804

SCHEMBL4035804

CC1=Cc2c(C)cccc2C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.36
CYP1A2 P05177 1/20 0.36
TSHR P16473 2/20 0.35
ACHE P22303 1/20 0.35
ALDH1A1 P00352 3/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
HTR5A P47898 1/20 0.32
TRPA1 O75762 2/20 0.31
CD44 P16070 1/20 0.31
CYP3A4 P08684 1/20 0.31
ATM Q13315 1/20 0.31
ALOX12 P18054 1/20 0.31
CASP3 P42574 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
SCHEMBL30477217 1.00 CYP2A6 (0.36) CYP2A6CYP1A2TSHRACHEALDH1A1
SCHEMBL5076425 0.81 MYC (0.38) CYP2A6CYP1A2ACHECA1CA2
SCHEMBL16408162 0.80 ALDH1A1 (0.34) CYP2A6CYP1A2TSHRACHEALDH1A1
SCHEMBL13265590 0.77
SCHEMBL30039464 0.77 ALDH1A1 (0.36) ALDH1A1TRPA1
SCHEMBL1453793 0.77 ADRA2A (0.37) CYP2A6CYP1A2TSHRALDH1A1HTR5A
SCHEMBL17034694 0.77 CYP3A4 (0.42) TSHRALDH1A1HPGDSMN1; SMN2KMT2A
SCHEMBL1923251 0.77 CYP1A2 (0.33) CYP2A6CYP1A2TSHRACHEALDH1A1
SCHEMBL6141265 0.77
SCHEMBL17034697 0.77 TDP2 (0.35)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-6172433-A None JP disclosed
US-11773287-B2 Method for forming coating TOKYO OHKA KOGYO CO., LTD. (JP) 2023-10-03 US disclosed
CN-116253835-A Method for producing conjugated diene polymer, and conjugated diene polymer, rubber and tire obtained thereby 台橡股份有限公司 2023-06-13 CN disclosed
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
US-20200369914-A1 METHOD FOR FORMING COATING TOKYO OHKA KOGYO CO., LTD. (JP) 2020-11-26 US 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
WO-2009149906-A2 PREPARATION OF SILOXY-BRIDGED METALLOCENES BASELL POLYOLEFINE GMBH (DE) 2009-12-17 WO disclosed
US-7544825-B1 Preparation of siloxy-bridged metallocenes BASELL POLYOLEFINE GMBH (DE) 2009-06-09 US disclosed
US-20060052620-A1 Preparation of substituted indenes BASELL POLYOLEFINE GMBH (DE) 2006-03-09 US disclosed
CN-1227271-C Solid catalytic composition for olefin polymerization ATOCHEM ELF SA (FR) 2005-11-16 CN disclosed
CN-1203924-A Solid catalytic composition for olefin polymerization ATOCHEM ELF SA (FR) 1999-01-06 CN disclosed
EP-0697418-B1 Catalyst component for polymerization of alpha-olefins and process for producing alpha-olefin polymers using the same MITSUBISHI CHEM CORP (JP) 1998-05-06 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
EP-0697418-A1 Catalyst component for polymerization of alpha-olefins and process for producing alpha-olefin polymers using the same MITSUBISHI CHEMICAL CORPORATION (JP) 1996-02-21 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
JP-H06172433-A CATALYTIC COMPONENT FOR ALPHA-OLEFIN POLYMERIZATION AND ITS USE MITSUBISHI PETROCHEM CO LTD 1994-06-21 JP 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 CYP2A6 95/4885CYP1A2 2/4885TSHR 4610/4885

“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.