SCHEMBL1044865

SCHEMBL1044865

Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 10/20 0.61
TSHR P16473 1/20 0.48
NPBWR1 P48145 1/20 0.47
MAOB P27338 1/20 0.47
CYP1A1 P04798 1/20 0.46
CYP1B1 Q16678 1/20 0.46
AR P10275 1/20 0.46
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA5A P35218 1/20 0.45
CA9 Q16790 1/20 0.45
ALDH1A1 P00352 1/20 0.44
BCHE P06276 1/20 0.44
ACHE P22303 1/20 0.44

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
SCHEMBL17110032 1.00 KIF11 (0.61) KIF11TSHRNPBWR1MAOBCYP1A1
SCHEMBL13019482 1.00 KIF11 (0.61) KIF11TSHRNPBWR1MAOBCYP1A1
SCHEMBL17816159 0.92 TSHR (0.55) KIF11TSHRCYP1A1CYP1B1CA1
SCHEMBL91414 0.92 TSHR (0.55) KIF11TSHRCYP1A1CYP1B1CA1
Bromide SCHEMBL27849066 0.89 TSHR (0.52) KIF11TSHRCYP1A1CYP1B1CA1
Ammonia Solution, Strong SCHEMBL28559843 0.89 TSHR (0.52) KIF11TSHRCYP1A1CYP1B1CA1
SCHEMBL17409156 0.87 KIF11 (0.50) KIF11TSHRNPBWR1MAOBCYP1A1
SCHEMBL18538197 0.87 KIF11 (0.52) KIF11NPBWR1CYP1A1CYP1B1
SCHEMBL14200077 0.87 KIF11 (0.50) KIF11TSHRNPBWR1MAOBCYP1A1
SCHEMBL17409153 0.87 KIF11 (0.50) KIF11TSHRNPBWR1MAOBCYP1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240149262-A1 Immobilization of Molecular Catalysts on Solid Powders via Vapor Deposition of Encapsulating Nano-Layers for Use as Heterogeneous Chemical Catalysts UNIVERSITY OF SOUTH CAROLINA 2024-05-09 US disclosed
US-20230309388-A1 ORGANIC ELECTROLUMINESCENT MATERIAL AND DEVICE Beijing Summer Sprout Technology Co., Ltd. (CN) 2023-09-28 US disclosed
US-20230309388-A1 ORGANIC ELECTROLUMINESCENT MATERIAL AND DEVICE Beijing Summer Sprout Technology Co., Ltd. (CN) 2023-09-28 US disclosed
WO-2023156485-A1 TRIARYLALKYL BORATE SALTS AS COINITIATORS IN NIR PHOTOPOLYMER COMPOSITIONS COVESTRO DEUTSCHLAND AG (DE) 2023-08-24 WO disclosed
US-20230212207-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2023-07-06 US disclosed
US-20230203077-A1 NOVEL PRECATALYST SCAFFOLDS FOR CROSS-COUPLING REACTIONS, AND METHODS OF MAKING AND USING SAME NATIONAL SCIENCE FOUNDATION 2023-06-29 US disclosed
CN-115160098-B Oxygen-containing compound deoxidization methylation method 中国科学院兰州化学物理研究所 2023-06-06 CN disclosed
CN-115160098-A Oxygen-containing compound deoxidation and methylation method 中国科学院兰州化学物理研究所 2022-10-11 CN disclosed
US-20220137261-A1 OPTICAL ELEMENT, OPTICAL APPARATUS, IMAGING APPARATUS, AND COMPOUND CANON KABUSHIKI KAISHA (JP) 2022-05-05 US disclosed
EP-3885343-A1 INDOLE COMPOUNDS AS EZH2 INHIBITORS AND USES THEREOF Dana-Farber Cancer Institute, Inc. (US) 2021-09-29 EP disclosed
WO-2003007954-A2 SULFONYL ARYL HYDROXAMATES AND THEIR USE AS MATRIX METALLOPROTEASE INHIBITORS PHARMACIA CORPORATION (US) 2003-01-30 WO disclosed
EP-0931067-B1 D4 RECEPTOR SELECTIVITY PIPERAZINE DERIVATIVES MERCK PATENT GMBH (DE) 2002-06-26 EP disclosed
EP-1122234-A9 Production methods of alpha, alpha, alpha-trifluoromethylphenyl-substituted benzoic acid and intermediate therefor SUMIKA FINE CHEMICALS Co., Ltd. (JP) 2002-01-16 EP disclosed
US-20010020110-A1 Production methods of alpha, alpha, alpha-trifluoromethylphenyl-substituted benzoic acid and intermediate therefor SUMIKA FINE CHEMICALS CO., LTD. (JP) 2001-09-06 US disclosed
EP-1122234-A2 Production methods of alpha, alpha, alpha-trifluoromethylphenyl-substituted benzoic acid and intermediate therefor SUMIKA FINE CHEMICALS Co., Ltd. (JP) 2001-08-08 EP disclosed
US-6258813-B1 BIOLOGICAL RECEPTORS WITH TETRAHYDROPIPERIZINE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT (DE) 2001-07-10 US disclosed
EP-0931067-A1 D4 RECEPTOR SELECTIVITY PIPERAZINE DERIVATIVES MERCK PATENT GmbH (DE) 1999-07-28 EP disclosed
WO-1998011068-A1 D4 RECEPTOR SELECTIVITY PIPERAZINE DERIVATIVES MERCK PATENT GMBH (DE) 1998-03-19 WO disclosed
US-5292454-A Trifluorotoluene compounds, and a liquid crystalline medium MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1994-03-08 US disclosed
WO-1990014404-A1 TRIFLUOROTOLUOL COMPOUNDS AND LIQUID CRYSTALLINE MEDIUM MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1990-11-29 WO 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 (4 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-20230212207-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OCIAD2, OTC, OCIAD1 KIF11 2296/4885TSHR 4384/4885NPBWR1 4831/4885
US-20230203077-A1 NOVEL PRECATALYST SCAFFOLDS FOR CROSS-COUPLING REACTIONS, AND METHODS OF MAKING AND USING SAME TIMCC, YAP1, TET2 KIF11 1360/4885TSHR 4882/4885NPBWR1 4845/4885
US-20230309388-A1 ORGANIC ELECTROLUMINESCENT MATERIAL AND DEVICE OCIAD1, OCIAD2, SLCO4C1 KIF11 755/4885TSHR 4318/4885NPBWR1 4788/4885
US-20010020110-A1 Production methods of alpha, alpha, alpha-trifluoromethylphenyl-substituted benzoic acid and intermediate therefor SLC6A11, CYP4F11, SLC39A11 KIF11 1001/4885TSHR 2070/4885NPBWR1 2293/4885

“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.