SCHEMBL2806539

SCHEMBL2806539

[NaH].c1ccc(-c2cccc(-c3ccccc3)c2-c2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
HSD17B10 Q99714 2/20 0.48
HPGD P15428 1/20 0.48
BCL2L1 Q07817 1/20 0.48
CYP2A6 P11509 1/20 0.48
MAPK1 P28482 1/20 0.48
HNF4A P41235 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46
BACE1 P56817 1/20 0.43
DPP4 P27487 1/20 0.42
PDCD1 Q15116 1/20 0.41
CD274 Q9NZQ7 1/20 0.41
ENPP1 P22413 1/20 0.40
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL29093087 1.00 ALDH1A1 (0.48) ALDH1A1HSD17B10HPGDBCL2L1CYP2A6
SCHEMBL192418 0.97 ALDH1A1 (0.50) ALDH1A1HSD17B10HPGDBCL2L1CYP2A6
Charcoal, Activated SCHEMBL30690883 0.94 ALDH1A1 (0.48) ALDH1A1HSD17B10HPGDBCL2L1CYP2A6
SCHEMBL28995730 0.94 ALDH1A1 (0.48) ALDH1A1HSD17B10HPGDBCL2L1CYP2A6
Hydrogen Sulfide SCHEMBL27857262 0.94 ALDH1A1 (0.48) ALDH1A1HSD17B10HPGDBCL2L1CYP2A6
SCHEMBL9469764 0.94 ALDH1A1 (0.48) ALDH1A1HSD17B10HPGDBCL2L1CYP2A6
Water SCHEMBL432858 0.94 ALDH1A1 (0.48) ALDH1A1HSD17B10HPGDBCL2L1CYP2A6
Phosphine SCHEMBL10935474 0.94 ALDH1A1 (0.48) ALDH1A1HSD17B10HPGDBCL2L1CYP2A6
Ammonia Solution, Strong SCHEMBL21647364 0.94 ALDH1A1 (0.48) ALDH1A1HSD17B10HPGDBCL2L1CYP2A6
Ammonia Solution, Strong SCHEMBL3174474 0.92 ALDH1A1 (0.46) ALDH1A1HSD17B10HPGDBCL2L1CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117110209-A Device and method for detecting and evaluating grouting effect of hidden danger of dam structure 水利部交通运输部国家能源局南京水利科学研究院 2023-11-24 CN claimed
CN-115522405-B Thermal sublimation transfer paper coating and preparation method and application thereof 广东冠豪高新技术股份有限公司 2024-05-07 CN disclosed
CN-117110209-A Device and method for detecting and evaluating grouting effect of hidden danger of dam structure 水利部交通运输部国家能源局南京水利科学研究院 2023-11-24 CN disclosed
EP-2207416-B1 ENHANCED RETENTION CAPABILITIES THROUGH METHODS COMPRISING SURFACE TREATMENT OF FUNCTIONAL PARTICULATE CARRIER MATERIALS, AND FUNCTIONAL PARTICULATE CARRIER MATERIALS MADE THEREFROM IMERYS FILTRATION MINERALS INC (US) 2018-11-07 EP disclosed
US-20100239679-A1 ENHANCED RETENTION CAPABILITIES THROUGH METHODS COMPRISING SURFACE TREATMENT OF FUNCTIONAL PARTICULATE CARRIER MATERIALS, AND FUNCTIONAL PARTICULATE CARRIER MATERIALS MADE THEREFROM WORLD MINERALS, INC. (US) 2010-09-23 US disclosed
EP-2207416-A1 ENHANCED RETENTION CAPABILITIES THROUGH METHODS COMPRISING SURFACE TREATMENT OF FUNCTIONAL PARTICULATE CARRIER MATERIALS, AND FUNCTIONAL PARTICULATE CARRIER MATERIALS MADE THEREFROM World Minerals, Inc. (US) 2010-07-21 EP disclosed
WO-2009045941-A1 ENHANCED RETENTION CAPABILITIES THROUGH METHODS COMPRISING SURFACE TREATMENT OF FUNCTIONAL PARTICULATE CARRIER MATERIALS, AND FUNCTIONAL PARTICULATE CARRIER MATERIALS MADE THEREFROM WORLD MINERALS, INC. (US) 2009-04-09 WO disclosed
US-20060276339-A1 Methods and compositions for increasing the efficacy of biologically-active ingredients BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2006-12-07 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 (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-20060276339-A1 Methods and compositions for increasing the efficacy of biologically-active ingredients ENPP1, ENPP3, SMPD1 ALDH1A1 2504/4885HSD17B10 2715/4885HPGD 1874/4885

“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.