SCHEMBL4155727

SCHEMBL4155727

Cc1ccc(-c2c(F)c(F)c(F)c(F)c2F)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACHE P22303 5/20 0.48
TDP1 Q9NUW8 1/20 0.44
PTGS2 P35354 4/20 0.42
PTGS1 P23219 1/20 0.41
NFE2L2 Q16236 1/20 0.37
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
CYP2C19 P33261 1/20 0.34
HSD17B10 Q99714 1/20 0.34
HEXA P06865 1/20 0.34
HEXB P07686 1/20 0.34

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
SCHEMBL4152903 0.97 ACHE (0.46) ACHETDP1PTGS2PTGS1NFE2L2
SCHEMBL13170620 0.97 ACHE (0.46) ACHETDP1PTGS2PTGS1NFE2L2
SCHEMBL4147252 0.97 ACHE (0.50) ACHETDP1PTGS2PTGS1NFE2L2
SCHEMBL27457077 0.91 ACHE (0.40) ACHETDP1PTGS2PTGS1NFE2L2
SCHEMBL3964861 0.90 ACHE (0.43) ACHETDP1PTGS2PTGS1NFE2L2
SCHEMBL27457025 0.87 ACHE (0.42) ACHETDP1PTGS2PTGS1NFE2L2
SCHEMBL1673093 0.87 ACHE (0.42) ACHETDP1PTGS2PTGS1NFE2L2
SCHEMBL26325297 0.87 ACHE (0.42) ACHETDP1PTGS2PTGS1NFE2L2
SCHEMBL9842281 0.87 ACHE (0.37) ACHETDP1PTGS2PTGS1NFE2L2
SCHEMBL21919585 0.85 PTGS2 (0.41) ACHETDP1PTGS2PTGS1NFE2L2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230309388-A1 ORGANIC ELECTROLUMINESCENT MATERIAL AND DEVICE Beijing Summer Sprout Technology Co., Ltd. (CN) 2023-09-28 US disclosed
US-11770974-B2 P active materials for organic photoelectric conversion layers in organic photodiodes SONY CORPORATION (JP) 2023-09-26 US disclosed
US-11664093-B2 Extrapolative prediction of enantioselectivity enabled by computer-driven workflow, new molecular representations and machine learning THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2023-05-30 US disclosed
US-20230071261-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2023-03-09 US disclosed
US-20210193935-A1 P ACTIVE MATERIALS FOR ORGANIC PHOTOELECTRIC CONVERSION LAYERS IN ORGANIC PHOTODIODES SONY CORPORATION (JP) 2021-06-24 US disclosed
US-9502657-B2 Organic electroluminescence device and manufacturing method thereof PIONEER CORPORATION (JP) 2016-11-22 US disclosed
US-9502661-B2 Amine derivative, organic electroluminescence material having the same and organic electroluminescence device using the material SAMSUNG DISPLAY CO., LTD. (KR) 2016-11-22 US disclosed
US-9502661-B2 Amine derivative, organic electroluminescence material having the same and organic electroluminescence device using the material SAMSUNG DISPLAY CO., LTD. (KR) 2016-11-22 US disclosed
US-20160013417-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND MANUFACTURING METHOD THEREOF PIONEER CORPORATION (JP) 2016-01-14 US disclosed
US-9219233-B2 Semiconductor materials prepared from rylene-(π-acceptor)copolymers BASF SE (DE) 2015-12-22 US disclosed
US-7964643-B2 Biphenyl-4-sulfonic acid-(4-hydroxybutyl)-amide and derivatives; inhibits osteoclast survival, formation, and/or activity and/or inhibits bone resorption; osteoporosis, rheumatoid arthritis, cancer associated bone disease, Paget's disease, antiinflammatory, -carcinogenic agents; immunostimulants THE UNIVERSITY COURT OF THE UNIVERSITY OF ABERDEEN (GB) 2011-06-21 US disclosed
US-7745424-B2 Alkane diol derivatives as therapeutic agents for the treatment of bone conditions The Univeristy Court of the University of Aberdeen (GB) 2010-06-29 US disclosed
US-7598289-B2 Ketones and reduced ketones as therapeutic agents for the treatment of bone conditions THE UNIVERSITY COURT OF THE UNIVERSITY OF ABERDEEN (GB) 2009-10-06 US disclosed
US-20090076266-A1 COPPER-CATALYZED C-H BOND ARYLATION THE UNIVERSITY OF HOUSTON SYSTEM (US) 2009-03-19 US disclosed
US-20090076266-A1 COPPER-CATALYZED C-H BOND ARYLATION THE UNIVERSITY OF HOUSTON SYSTEM (US) 2009-03-19 US disclosed
US-20090076266-A1 COPPER-CATALYZED C-H BOND ARYLATION THE UNIVERSITY OF HOUSTON SYSTEM (US) 2009-03-19 US disclosed
US-20080312186-A1 KETONES AND REDUCED KETONES AS THERAPEUTIC AGENTS FOR THE TREATMENT OF BONE CONDITIONS THE UNIVERSITY COURT OF THE UNIVERSITY OF ABERDEEN (GB) 2008-12-18 US disclosed
WO-2008085942-A2 METHODS FOR PREPARING ARENE-BIS(DICARBOXIMIDE)-BASED SEMICONDUCTING MATERIALS AND RELATED INTERMEDIATES FOR PREPARING SAME POLYERA CORPORATION (US) 2008-07-17 WO disclosed
US-20080119555-A1 Aryl Alkyl Sulfonamides As Therapeutic Agents For The Treatment Of Bone Conditions THE UNIVERSITY COURT OF THE UNIVERSITY OF ABERDEEN (GB) 2008-05-22 US disclosed
US-20070027112-A1 Ketones and reduced ketones as therapeutic agents for the treatment of bone conditions UNIVERSITY COURT OF THE UNIVERSITY OF ABERDEEN, THE (GB) 2007-02-01 US 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 (8 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-20080119555-A1 Aryl Alkyl Sulfonamides As Therapeutic Agents For The Treatment Of Bone Conditions ARSA, CNKSR1, BCL9L ACHE 1926/4885TDP1 2123/4885PTGS2 2205/4885
US-20090076266-A1 COPPER-CATALYZED C-H BOND ARYLATION AOC2, AOC3, DBH ACHE 3552/4885TDP1 4330/4885PTGS2 2323/4885
US-11770974-B2 P active materials for organic photoelectric conversion layers in organic photodiodes JUP, L1CAM, EPCAM ACHE 801/4885TDP1 848/4885PTGS2 2206/4885
US-20230309388-A1 ORGANIC ELECTROLUMINESCENT MATERIAL AND DEVICE OCIAD1, OCIAD2, SLCO4C1 ACHE 1667/4885TDP1 3886/4885PTGS2 4005/4885
US-20070027112-A1 Ketones and reduced ketones as therapeutic agents for the treatment of bone conditions OXER1, ESRRA, NR5A1 ACHE 2603/4885TDP1 2044/4885PTGS2 2871/4885
US-20080312186-A1 KETONES AND REDUCED KETONES AS THERAPEUTIC AGENTS FOR THE TREATMENT OF BONE CONDITIONS AK1, IRAK1, CNKSR1 ACHE 1753/4885TDP1 1789/4885PTGS2 2137/4885
US-20210193935-A1 P ACTIVE MATERIALS FOR ORGANIC PHOTOELECTRIC CONVERSION LAYERS IN ORGANIC PHOTODIODES JUP, L1CAM, EPCAM ACHE 801/4885TDP1 848/4885PTGS2 2206/4885
US-20230071261-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OCIAD1, LOXL1, OCIAD2 ACHE 585/4885TDP1 2527/4885PTGS2 1778/4885

“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.